| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 75.2 | Confident | 202 Ų | 202 | 58.3 Ų | 58.3 | 100% | 0.995 | 31% | 0.308 | S | S | * | . | 0 | 128.9 | 0 | -162.3 | -176.7 | -76.2 | 0 | 0 | 105.8 | M3 | M1-M3 PolarHBondContact O-N 2.72Å; M1-M3 VanDerWaalsContact O-N 3.07Å | |||
| 2 | S | 47 | Very low | 77 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | trans | -57.2 | 116.1 | -175.7 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | F4 | S2-F4 PolarHBondContact O-N 3.41Å; S2-F4 PolarHBondContact OG-N 3.22Å; S2-F4 PolarHBondContact OG-O 3.14Å | ||
| 3 | M | 63.2 | Low | 78.6 | Confident | 126 Ų | 126 | 55.2 Ų | 55.2 | 62% | 0.621 | 29% | 0.286 | S | S | * | . | trans | -85.3 | 12.9 | 177.7 | -80 | 179.7 | 165.4 | 0 | 0 | 112 | M1 M58 T203 | M1-M3 PolarHBondContact O-N 2.72Å; M1-M3 VanDerWaalsContact O-N 3.07Å; M3-M58 VanDerWaalsContact C-SD 3.55Å; M3-M58 WeakPolarHBondContact O-CG 3.47Å; M3-T203 HydrophobicContact SD-CG2 4.13Å | ||
| 4 | F | 66.7 | Low | 79.9 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | trans | -128.7 | 131.1 | -174.3 | -177.9 | -100.7 | 0 | 0 | 0 | 110.3 | S2 D6 T56 L157 V159 A183 P185 M201 | S2-F4 PolarHBondContact O-N 3.41Å; S2-F4 PolarHBondContact OG-N 3.22Å; S2-F4 PolarHBondContact OG-O 3.14Å; F4-D6 HydrophobicContact CD1-CB 4.46Å; F4-D6 HydrophobicContact CE1-CB 3.45Å; F4-D6 VanDerWaalsContact CE1-CB 3.45Å; F4-D6 HydrophobicContact CZ-CB 3.73Å; F4-T56 HydrophobicContact CD2-CG2 3.48Å; F4-T56 VanDerWaalsContact CD2-CG2 3.48Å; F4-T56 HydrophobicContact CE2-CG2 3.83Å; F4-L157 HydrophobicContact CE2-CD2 4.46Å; F4-V159 HydrophobicContact CE2-CG2 4.22Å; F4-V159 HydrophobicContact CZ-CG2 3.76Å; F4-A183 HydrophobicContact CB-CB 3.88Å; F4-A183 HydrophobicContact CD1-CB 3.87Å; F4-A183 HydrophobicContact CG-CB 4.18Å; F4-P185 HydrophobicContact CE1-CB 3.58Å; F4-P185 HydrophobicContact CZ-CB 3.74Å; F4-M201 HydrophobicContact CB-CG 4.48Å; F4-M201 HydrophobicContact CD1-CG 3.98Å; F4-M201 HydrophobicContact CD2-CB 4.44Å; F4-M201 HydrophobicContact CD2-CE 3.8Å; F4-M201 HydrophobicContact CD2-CG 3.57Å; F4-M201 HydrophobicContact CD2-SD 4.05Å; F4-M201 HydrophobicContact CE1-CG 4.05Å; F4-M201 HydrophobicContact CE2-CE 3.73Å; F4-M201 HydrophobicContact CE2-CG 3.68Å; F4-M201 HydrophobicContact CE2-SD 3.67Å; F4-M201 HydrophobicContact CG-CB 4.45Å; F4-M201 HydrophobicContact CG-CG 3.74Å; F4-M201 HydrophobicContact CZ-CG 3.93Å; F4-M201 HydrophobicContact CZ-SD 4.07Å | ||
| 5 | L | 72.1 | Confident | 81.1 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | trans | -127 | 113.8 | 172.2 | -169.2 | 66.7 | 0 | 0 | 0 | 106.9 | Q7 V8 L57 M58 R61 | L5-Q7 WeakPolarHBondContact CD1-O 3.45Å; L5-Q7 WeakPolarHBondContact CG-O 3.17Å; L5-V8 HydrophobicContact CD2-CB 3.74Å; L5-V8 HydrophobicContact CD2-CG2 3.94Å; L5-V8 HydrophobicContact CG-CB 4.34Å; L5-L57 HydrophobicContact CB-CB 4.49Å; L5-L57 WeakPolarHBondContact CD2-O 3.34Å; L5-L57 HydrophobicContact CG-CB 4.5Å; L5-L57 WeakPolarHBondContact O-CB 3.45Å; L5-L57 PolarHBondContact O-N 3.11Å; L5-M58 HydrophobicContact CB-CG 4.26Å; L5-M58 HydrophobicContact CB-SD 3.75Å; L5-R61 HydrophobicContact CD2-CB 4.34Å | ||
| 6 | D | 74.1 | Confident | 82.2 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -95.4 | -16 | 172.7 | 47.7 | -8.5 | 0 | 0 | 0 | 112.9 | F4 L57 E156 L157 K186 | F4-D6 HydrophobicContact CD1-CB 4.46Å; F4-D6 HydrophobicContact CE1-CB 3.45Å; F4-D6 VanDerWaalsContact CE1-CB 3.45Å; F4-D6 HydrophobicContact CZ-CB 3.73Å; D6-L57 WeakPolarHBondContact O-CD1 3.37Å; D6-E156 CarbonylContact O-C 3.43Å; D6-E156 WeakPolarHBondContact O-CA 2.95Å; D6-L157 PolarHBondContact O-N 2.9Å; D6-K186 PolarHBondContact OD2-N 3.21Å |
| 7 | Q | 84.2 | Confident | 83.1 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.9 | -177.4 | -169.6 | 176.3 | -6.8 | 0 | 0 | 110.8 | L5 E154 L155 | L5-Q7 WeakPolarHBondContact CD1-O 3.45Å; L5-Q7 WeakPolarHBondContact CG-O 3.17Å; Q7-E154 HydrophobicContact CG-CG 4.37Å; Q7-E154 PolarHBondContact NE2-OE1 3.29Å; Q7-L155 VanDerWaalsContact CA-O 3.31Å; Q7-L155 WeakPolarHBondContact CA-O 3.48Å |
| 8 | V | 91.2 | Very high | 84 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 140.4 | 178.1 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | L5 I10 L57 F60 L155 | L5-V8 HydrophobicContact CD2-CB 3.74Å; L5-V8 HydrophobicContact CD2-CG2 3.94Å; L5-V8 HydrophobicContact CG-CB 4.34Å; V8-I10 HydrophobicContact CG1-CG2 4.23Å; V8-I10 HydrophobicContact CG2-CG2 4.11Å; V8-L57 HydrophobicContact CG1-CB 4.08Å; V8-L57 HydrophobicContact CG1-CD1 4.08Å; V8-F60 HydrophobicContact CB-CB 4.33Å; V8-F60 HydrophobicContact CG1-CB 3.7Å; V8-F60 HydrophobicContact CG1-CD2 4.39Å; V8-F60 HydrophobicContact CG1-CG 4.09Å; V8-F60 HydrophobicContact CG2-CB 3.95Å; V8-L155 HydrophobicContact CG1-CB 3.97Å; V8-L155 HydrophobicContact CG1-CD1 4.18Å; V8-L155 HydrophobicContact CG1-CG 4.37Å; V8-L155 PolarHBondContact N-O 2.66Å; V8-L155 PolarHBondContact O-N 2.99Å |
| 9 | T | 94.5 | Very high | 84.7 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 36% | 0.362 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.4 | 167.5 | -46.4 | 0 | 0 | 0 | 0 | 108.8 | A100 N152 I153 | T9-A100 HydrophobicContact CG2-CB 3.81Å; T9-N152 HydrophobicContact CG2-CB 4.23Å; T9-I153 CarbonylContact C-O 3.54Å; T9-I153 VanDerWaalsContact CA-O 3.32Å; T9-I153 WeakPolarHBondContact CA-O 3.35Å |
| 10 | I | 96.2 | Very high | 85.3 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150.9 | 176.4 | 63.9 | 169.6 | 0 | 0 | 0 | 110.5 | V8 V12 F60 R64 F66 N152 I153 L155 | V8-I10 HydrophobicContact CG1-CG2 4.23Å; V8-I10 HydrophobicContact CG2-CG2 4.11Å; I10-V12 HydrophobicContact CD1-CG1 4.06Å; I10-V12 HydrophobicContact CG1-CG1 4.24Å; I10-F60 HydrophobicContact CD1-CD1 4.19Å; I10-F60 HydrophobicContact CD1-CE1 4.06Å; I10-F60 HydrophobicContact CG2-CB 4.12Å; I10-F60 HydrophobicContact CG2-CD1 3.85Å; I10-F60 HydrophobicContact CG2-CG 4.32Å; I10-R64 WeakPolarHBondContact CA-O 3.25Å; I10-R64 HydrophobicContact CG2-CB 4.48Å; I10-F66 HydrophobicContact CB-CD2 4.28Å; I10-F66 HydrophobicContact CB-CE2 4.18Å; I10-F66 HydrophobicContact CD1-CD2 3.74Å; I10-F66 HydrophobicContact CD1-CE2 3.79Å; I10-F66 HydrophobicContact CG2-CE2 4.16Å; I10-N152 WeakPolarHBondContact O-CA 3.49Å; I10-I153 HydrophobicContact CD1-CD1 3.93Å; I10-I153 HydrophobicContact CD1-CG1 4Å; I10-I153 HydrophobicContact CG1-CD1 3.97Å; I10-I153 HydrophobicContact CG1-CG1 3.44Å; I10-I153 VanDerWaalsContact CG1-CG1 3.44Å; I10-I153 PolarHBondContact N-O 3.09Å; I10-I153 PolarHBondContact O-N 3.45Å; I10-L155 HydrophobicContact CD1-CD1 3.76Å; I10-L155 HydrophobicContact CD1-CG 4.29Å; I10-L155 HydrophobicContact CG1-CD1 4.3Å; I10-L155 HydrophobicContact CG1-CG 4.4Å |
| 11 | D | 96.7 | Very high | 85.8 | Confident | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.9 | 176.7 | 168.9 | -113 | 0 | 0 | 0 | 108.2 | R64 H65 F66 | D11-R64 PolarHBondContact N-O 3.04Å; D11-H65 WeakPolarHBondContact CB-ND1 3.39Å; D11-H65 WeakPolarHBondContact O-CA 3.02Å; D11-H65 IonicContact OD1-CE1 3.94Å; D11-H65 IonicContact OD1-CG 3.72Å; D11-H65 IonicContact OD1-ND1 2.77Å; D11-H65 PolarHBondContact OD1-ND1 2.89Å; D11-F66 PolarHBondContact O-N 3.46Å |
| 12 | V | 97.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.1 | 178.2 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | I10 V46 F66 V118 A119 E150 R151 I153 | I10-V12 HydrophobicContact CD1-CG1 4.06Å; I10-V12 HydrophobicContact CG1-CG1 4.24Å; V12-V46 HydrophobicContact CB-CG1 4.22Å; V12-V46 HydrophobicContact CG1-CG1 4.11Å; V12-F66 WeakPolarHBondContact CA-O 3.38Å; V12-F66 HydrophobicContact CG1-CB 4.34Å; V12-V118 HydrophobicContact CB-CG2 4.36Å; V12-V118 HydrophobicContact CG1-CG2 4.13Å; V12-V118 HydrophobicContact CG2-CG2 4.19Å; V12-A119 HydrophobicContact CG2-CB 4.16Å; V12-E150 WeakPolarHBondContact O-CA 3.43Å; V12-R151 HydrophobicContact CG2-CG 3.63Å; V12-R151 VanDerWaalsContact CG2-O 3.24Å; V12-R151 WeakPolarHBondContact CG2-O 3.45Å; V12-R151 PolarHBondContact N-O 3.05Å; V12-R151 PolarHBondContact O-N 3.38Å; V12-I153 HydrophobicContact CG1-CD1 3.71Å; V12-I153 HydrophobicContact CG1-CG1 4.04Å; V12-I153 HydrophobicContact CG2-CD1 4.19Å; V12-I153 HydrophobicContact CG2-CG1 4.29Å; V12-I153 HydrophobicContact CG2-CG2 4.03Å |
| 13 | K | 97.6 | Very high | 90.6 | Very high | 76 Ų | 76 | 33.3 Ų | 33.3 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 113.5 | 179.3 | -169.9 | -169.1 | -168.8 | 92 | 0 | 110.5 | F66 R67 A68 E150 | K13-F66 PolarHBondContact N-O 2.87Å; K13-R67 HydrophobicContact CB-CG 4.2Å; K13-R67 CarbonylContact O-C 3.5Å; K13-R67 VanDerWaalsContact O-CA 3.24Å; K13-R67 WeakPolarHBondContact O-CA 3.4Å; K13-A68 PolarHBondContact O-N 3.04Å; K13-E150 HydrophobicContact CB-CG 4.3Å; K13-E150 HydrophobicContact CG-CB 4.19Å; K13-E150 HydrophobicContact CG-CG 4.14Å; K13-E150 IonicContact NZ-OE1 2.67Å; K13-E150 PolarHBondContact NZ-OE1 3.37Å; K13-E150 IonicContact NZ-OE2 2.83Å; K13-E150 PolarHBondContact NZ-OE2 3.14Å |
| 14 | A | 97.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 162.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A119 H120 Q149 | A14-A119 HydrophobicContact CB-CB 3.83Å; A14-A119 WeakPolarHBondContact CB-O 3.34Å; A14-H120 WeakPolarHBondContact CB-O 3.05Å; A14-Q149 PolarHBondContact N-O 3.37Å |
| 15 | G | 98 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 137.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G44 T69 G121 G122 G148 | G15-G44 PolarHBondContact N-O 3.46Å; G15-T69 VanDerWaalsContact CA-O 3.3Å; G15-T69 WeakPolarHBondContact CA-O 3.35Å; G15-G121 CarbonylContact O-C 3.57Å; G15-G121 WeakPolarHBondContact O-CA 3.31Å; G15-G122 PolarHBondContact O-N 3.4Å; G15-G148 WeakPolarHBondContact O-CA 3.37Å |
| 16 | K | 97.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 46.5 Ų | 46.5 | 36% | 0.357 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 143.8 | 165.6 | -168.9 | -158.7 | 163.9 | -170.2 | 0 | 109 | D19 G43 P70 G71 G145 E146 | K16-D19 WeakPolarHBondContact CE-OD1 3.28Å; K16-D19 VanDerWaalsContact NZ-CG 3.34Å; K16-D19 IonicContact NZ-OD1 2.72Å; K16-D19 PolarHBondContact NZ-OD1 3.37Å; K16-D19 IonicContact NZ-OD2 2.94Å; K16-D19 PolarHBondContact NZ-OD2 3.17Å; K16-G43 WeakPolarHBondContact O-CA 3.23Å; K16-P70 HydrophobicContact CB-CB 4.46Å; K16-P70 CarbonylContact O-C 3.53Å; K16-P70 VanDerWaalsContact O-CA 3.29Å; K16-P70 WeakPolarHBondContact O-CA 3.21Å; K16-G71 PolarHBondContact O-N 3.36Å; K16-G145 WeakPolarHBondContact CE-O 3.39Å; K16-E146 VanDerWaalsContact CG-O 3.32Å; K16-E146 WeakPolarHBondContact CG-O 3.18Å |
| 17 | G | 98.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 150.5 | 163 | 0 | 0 | 0 | 0 | 0 | 111.1 | G41 G122 G145 E146 | G17-G41 CarbonylContact C-O 3.48Å; G17-G41 WeakPolarHBondContact CA-O 3.06Å; G17-G122 VanDerWaalsContact CA-O 3.26Å; G17-G122 WeakPolarHBondContact CA-O 3.3Å; G17-G122 PolarHBondContact N-O 2.95Å; G17-G145 WeakPolarHBondContact O-CA 3.4Å; G17-E146 PolarHBondContact N-O 3.11Å |
| 18 | G | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 152.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G40 G41 G71 E72 N73 G125 G145 | G18-G40 WeakPolarHBondContact O-CA 3.37Å; G18-G41 PolarHBondContact N-O 3.21Å; G18-G71 WeakPolarHBondContact CA-O 3.19Å; G18-E72 WeakPolarHBondContact CA-O 3.32Å; G18-N73 WeakPolarHBondContact CA-OD1 3.27Å; G18-G125 PolarHBondContact O-N 2.84Å; G18-G145 WeakPolarHBondContact O-CA 3.19Å; G18-G145 PolarHBondContact O-N 3.28Å |
| 19 | D | 97.7 | Very high | 95 | Very high | 37 Ų | 37 | 63.8 Ų | 63.8 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 140 | 178.7 | -59.1 | -40.6 | 0 | 0 | 0 | 111.1 | K16 N73 G74 N144 G145 | K16-D19 WeakPolarHBondContact CE-OD1 3.28Å; K16-D19 VanDerWaalsContact NZ-CG 3.34Å; K16-D19 IonicContact NZ-OD1 2.72Å; K16-D19 PolarHBondContact NZ-OD1 3.37Å; K16-D19 IonicContact NZ-OD2 2.94Å; K16-D19 PolarHBondContact NZ-OD2 3.17Å; D19-N73 PolarHBondContact N-OD1 3.19Å; D19-N73 WeakPolarHBondContact O-CA 3.1Å; D19-G74 PolarHBondContact O-N 2.68Å; D19-N144 VanDerWaalsContact OD1-CA 3.24Å; D19-N144 WeakPolarHBondContact OD1-CA 3.47Å; D19-N144 WeakPolarHBondContact OD1-CB 3.23Å; D19-G145 PolarHBondContact OD1-N 3.42Å |
| 20 | G | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 149.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G125 A142 E143 | G20-G125 WeakPolarHBondContact CA-O 3.45Å; G20-A142 WeakPolarHBondContact O-CB 3.43Å; G20-E143 WeakPolarHBondContact CA-O 3.46Å; G20-E143 PolarHBondContact N-O 3.42Å |
| 21 | M | 95.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 69.2 Ų | 69.2 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | trans | -105 | 145.5 | -177.9 | -170.5 | 179.2 | -175.3 | 0 | 0 | 111.9 | A23 G37 G38 M75 S76 G127 N128 | M21-A23 HydrophobicContact CE-CB 4.24Å; M21-A23 HydrophobicContact CG-CB 4.36Å; M21-A23 HydrophobicContact SD-CB 4.21Å; M21-G37 VanDerWaalsContact O-CA 3.28Å; M21-G37 WeakPolarHBondContact O-CA 3.23Å; M21-G38 PolarHBondContact N-O 3.3Å; M21-M75 VanDerWaalsContact SD-C 3.53Å; M21-S76 PolarHBondContact SD-N 3.32Å; M21-S76 VanDerWaalsContact SD-N 3.35Å; M21-G127 WeakPolarHBondContact O-CA 3.36Å; M21-N128 PolarHBondContact O-N 3.38Å | ||
| 22 | V | 94.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 75.9 Ų | 75.9 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | trans | -91.1 | 116.2 | 158.9 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | F24 N128 A142 | V22-F24 HydrophobicContact CG1-CE2 3.97Å; V22-F24 HydrophobicContact CG1-CZ 4.28Å; V22-N128 HydrophobicContact CG1-CB 4.47Å; V22-N128 HydrophobicContact CG2-CB 4.38Å; V22-A142 HydrophobicContact CG2-CB 3.66Å | ||
| 23 | A | 94.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 76.3 Ų | 76.3 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | trans | -147.7 | 157.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M21 A36 G37 N128 | M21-A23 HydrophobicContact CE-CB 4.24Å; M21-A23 HydrophobicContact CG-CB 4.36Å; M21-A23 HydrophobicContact SD-CB 4.21Å; A23-A36 PolarHBondContact O-N 2.89Å; A23-G37 PolarHBondContact O-N 3.38Å; A23-N128 PolarHBondContact N-ND2 3.18Å; A23-N128 PolarHBondContact O-ND2 3.48Å; A23-N128 PolarHBondContact O-OD1 2.82Å | ||
| 24 | F | 95 | Very high | 93 | Very high | 70 Ų | 70 | 74.1 Ų | 74.1 | 31% | 0.307 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 150.7 | 179.3 | -63.3 | -76.5 | 0 | 0 | 0 | 110.2 | V22 R26 G34 A138 E140 | V22-F24 HydrophobicContact CG1-CE2 3.97Å; V22-F24 HydrophobicContact CG1-CZ 4.28Å; F24-R26 PolarHBondContact O-N 3.32Å; F24-G34 WeakPolarHBondContact CA-O 3.49Å; F24-A138 HydrophobicContact CD1-CB 4.47Å; F24-A138 HydrophobicContact CE1-CB 3.88Å; F24-E140 HydrophobicContact CE2-CG 4.1Å; F24-E140 HydrophobicContact CZ-CG 3.7Å |
| 25 | R | 93.5 | Very high | 92.9 | Very high | 142 Ų | 142 | 74.6 Ų | 74.6 | 54% | 0.536 | 36% | 0.36 | S | S | . | . | trans | -65.5 | 128.2 | 178.6 | -65.5 | -177 | -171.9 | -173.9 | -1.6 | 109.7 | G34 A36 | R25-G34 WeakPolarHBondContact CG-O 3.41Å; R25-G34 PolarHBondContact N-O 3.23Å; R25-A36 HydrophobicContact CG-CB 3.76Å | ||
| 26 | R | 89.2 | Confident | 92.9 | Very high | 248 Ų | 248 | 74.8 Ų | 74.8 | 94% | 0.936 | 36% | 0.361 | S | S | * | . | trans | -115.7 | 88.8 | 173.8 | -65.8 | -176.3 | -179.9 | -179.9 | 0.6 | 108.4 | F24 | F24-R26 PolarHBondContact O-N 3.32Š| ||
| 27 | E | 89.7 | Confident | 92.8 | Very high | 110 Ų | 110 | 70.9 Ų | 70.9 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -121.2 | 143 | -178.2 | -70.6 | 174.3 | -158.8 | 0 | 0 | 110.7 | Y29 V30 | E27-Y29 PolarHBondContact O-N 2.99Å; E27-V30 HydrophobicContact CB-CB 4.08Å; E27-V30 HydrophobicContact CB-CG2 3.94Å; E27-V30 PolarHBondContact O-N 3.03Å |
| 28 | K | 89.6 | Confident | 92.8 | Very high | 164 Ų | 164 | 70.8 Ų | 70.8 | 71% | 0.713 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 128.4 | 176.5 | -161.7 | -175.7 | -176.1 | -165.6 | 0 | 108.2 | ||
| 29 | Y | 87.3 | Confident | 92.8 | Very high | 195 Ų | 195 | 71.5 Ų | 71.5 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 11.7 | -178.2 | -43.1 | -70.7 | 0 | 0 | 0 | 116.4 | E27 P31 | E27-Y29 PolarHBondContact O-N 2.99Å; Y29-P31 WeakPolarHBondContact O-CD 3.36Å |
| 30 | V | 85.5 | Confident | 92.8 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 39% | 0.394 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -118.4 | 87.8 | 172.8 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | E27 | E27-V30 HydrophobicContact CB-CB 4.08Å; E27-V30 HydrophobicContact CB-CG2 3.94Å; E27-V30 PolarHBondContact O-N 3.03Å |
| 31 | P | 87.4 | Confident | 92.9 | Very high | 110 Ų | 110 | 70.2 Ų | 70.2 | 71% | 0.714 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 146.4 | 169.8 | 29 | -32.9 | 0 | 0 | 0 | 109.9 | Y29 G33 | Y29-P31 WeakPolarHBondContact O-CD 3.36Å; P31-G33 VanDerWaalsContact C-N 3.32Å; P31-G33 PolarHBondContact O-N 3.1Å |
| 32 | D | 85.6 | Confident | 93 | Very high | 165 Ų | 165 | 72.3 Ų | 72.3 | 88% | 0.882 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 47.6 | 177.8 | -52.5 | -37.8 | 0 | 0 | 0 | 113.7 | G34 | D32-G34 PolarHBondContact O-N 2.92Š|
| 33 | G | 88.8 | Confident | 93.2 | Very high | 9 Ų | 9 | 70.9 Ų | 70.9 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | trans | -54.7 | 131.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P31 | P31-G33 VanDerWaalsContact C-N 3.32Å; P31-G33 PolarHBondContact O-N 3.1Å | ||
| 34 | G | 93.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | trans | -60.9 | -177.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F24 R25 D32 | F24-G34 WeakPolarHBondContact CA-O 3.49Å; R25-G34 WeakPolarHBondContact CG-O 3.41Å; R25-G34 PolarHBondContact N-O 3.23Å; D32-G34 PolarHBondContact O-N 2.92Å | ||
| 35 | P | 96 | Very high | 93.5 | Very high | 16 Ų | 16 | 67.3 Ų | 67.3 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 146.9 | -175.1 | 26.2 | -33.5 | 0 | 0 | 0 | 111.7 | N128 A132 P137 | P35-N128 HydrophobicContact CB-CB 4.5Å; P35-A132 HydrophobicContact CG-CB 3.85Å; P35-P137 WeakPolarHBondContact CD-O 2.97Å; P35-P137 WeakPolarHBondContact CG-O 3.35Å |
| 36 | A | 96.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | trans | -149.8 | 17.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A23 R25 S76 K77 G78 | A23-A36 PolarHBondContact O-N 2.89Å; R25-A36 HydrophobicContact CG-CB 3.76Å; A36-S76 CarbonylContact O-C 3.56Å; A36-K77 PolarHBondContact O-N 3.18Å; A36-G78 PolarHBondContact O-N 3.31Å | ||
| 37 | G | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 128.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M21 A23 N128 T129 | M21-G37 VanDerWaalsContact O-CA 3.28Å; M21-G37 WeakPolarHBondContact O-CA 3.23Å; A23-G37 PolarHBondContact O-N 3.38Å; G37-N128 VanDerWaalsContact CA-OD1 3.24Å; G37-N128 WeakPolarHBondContact CA-OD1 3.37Å; G37-N128 PolarHBondContact N-OD1 3.48Å; G37-T129 PolarHBondContact N-OG1 3.23Å; G37-T129 WeakPolarHBondContact O-CB 3.42Å; G37-T129 PolarHBondContact O-OG1 3.06Å |
| 38 | G | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 160.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M21 M75 M79 G127 | M21-G38 PolarHBondContact N-O 3.3Å; G38-M75 PolarHBondContact N-O 2.79Å; G38-M79 WeakPolarHBondContact CA-O 3.25Å; G38-G127 WeakPolarHBondContact O-CA 3.3Å |
| 39 | D | 98.1 | Very high | 94.7 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 150.3 | 169.6 | -52.1 | -28.3 | 0 | 0 | 0 | 110.6 | G74 H80 G81 G125 R126 G127 R130 | D39-G74 VanDerWaalsContact O-CA 3.31Å; D39-G74 WeakPolarHBondContact O-CA 3.03Å; D39-H80 VanDerWaalsContact CB-ND1 3.28Å; D39-H80 WeakPolarHBondContact CB-ND1 3.43Å; D39-H80 PolarHBondContact N-ND1 3.35Å; D39-H80 CarbonylContact O-C 3.58Å; D39-H80 VanDerWaalsContact O-CA 3.24Å; D39-H80 WeakPolarHBondContact O-CA 3.34Å; D39-H80 IonicContact OD2-CE1 3.11Å; D39-H80 PolarHBondContact OD2-CE1 2.79Å; D39-H80 VanDerWaalsContact OD2-CE1 3.3Å; D39-H80 IonicContact OD2-ND1 3.98Å; D39-G81 PolarHBondContact O-N 2.52Å; D39-G125 CarbonylContact C-O 3.48Å; D39-G125 VanDerWaalsContact CA-O 3.24Å; D39-G125 WeakPolarHBondContact CA-O 3.46Å; D39-G125 WeakPolarHBondContact CB-O 3.36Å; D39-R126 WeakPolarHBondContact OD1-CA 3.27Å; D39-G127 PolarHBondContact OD1-N 3.03Å; D39-R130 WeakPolarHBondContact OD1-CG 3.44Å; D39-R130 IonicContact OD1-NE 3.39Å; D39-R130 IonicContact OD2-CZ 3.3Å; D39-R130 IonicContact OD2-NE 3.46Å; D39-R130 PolarHBondContact OD2-NE 3.24Å; D39-R130 IonicContact OD2-NH2 2.93Å; D39-R130 PolarHBondContact OD2-NH2 3.39Å |
| 40 | G | 98 | Very high | 94.8 | Very high | 12 Ų | 12 | 28 Ų | 28 | 12% | 0.124 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -74 | 161.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G18 E72 G124 G125 | G18-G40 WeakPolarHBondContact O-CA 3.37Å; G40-E72 CarbonylContact C-O 3.55Å; G40-E72 WeakPolarHBondContact CA-O 3.49Å; G40-G124 WeakPolarHBondContact O-CA 3.35Å; G40-G125 PolarHBondContact N-O 2.84Å |
| 41 | G | 98.2 | Very high | 95 | Very high | 5 Ų | 5 | 28 Ų | 28 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 160.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G17 G18 E72 G81 G124 | G17-G41 CarbonylContact C-O 3.48Å; G17-G41 WeakPolarHBondContact CA-O 3.06Å; G18-G41 PolarHBondContact N-O 3.21Å; G41-E72 PolarHBondContact N-O 3.27Å; G41-G81 VanDerWaalsContact CA-O 3.29Å; G41-G81 WeakPolarHBondContact CA-O 3.2Å; G41-G81 PolarHBondContact N-O 3.15Å; G41-G124 VanDerWaalsContact O-CA 3.27Å; G41-G124 WeakPolarHBondContact O-CA 3.41Å |
| 42 | R | 97.8 | Very high | 94.6 | Very high | 116 Ų | 116 | 26.5 Ų | 26.5 | 44% | 0.438 | 15% | 0.146 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 140.8 | 172.6 | -165.8 | -159.1 | 175.5 | -165.2 | -1.7 | 110 | D45 G71 G83 A84 | R42-D45 IonicContact CZ-OD1 3.98Å; R42-D45 IonicContact CZ-OD2 3.16Å; R42-D45 IonicContact NH1-OD2 2.74Å; R42-D45 PolarHBondContact NH1-OD2 3.45Å; R42-D45 IonicContact NH2-OD1 2.7Å; R42-D45 PolarHBondContact NH2-OD1 2.95Å; R42-D45 IonicContact NH2-OD2 3.64Å; R42-D45 PolarHBondContact NH2-OD2 2.99Å; R42-G71 VanDerWaalsContact O-CA 3.31Å; R42-G71 WeakPolarHBondContact O-CA 3.45Å; R42-G83 CarbonylContact O-C 3.6Å; R42-G83 WeakPolarHBondContact O-CA 3.31Å; R42-A84 PolarHBondContact O-N 3.48Å |
| 43 | G | 98.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 154.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K16 G121 G122 | K16-G43 WeakPolarHBondContact O-CA 3.23Å; G43-G121 WeakPolarHBondContact O-CA 3.32Å; G43-G122 PolarHBondContact N-O 2.77Å |
| 44 | G | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 148 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G15 A68 T69 D86 G121 | G15-G44 PolarHBondContact N-O 3.46Å; G44-A68 WeakPolarHBondContact O-CB 3.37Å; G44-T69 PolarHBondContact N-O 2.89Å; G44-D86 WeakPolarHBondContact CA-OD1 3.24Å; G44-G121 WeakPolarHBondContact O-CA 3.21Å |
| 45 | D | 98 | Very high | 93.4 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 158.3 | 169.3 | -63.8 | -30.6 | 0 | 0 | 0 | 110.6 | R42 I47 A68 D86 T87 I117 A119 H120 G121 | R42-D45 IonicContact CZ-OD1 3.98Å; R42-D45 IonicContact CZ-OD2 3.16Å; R42-D45 IonicContact NH1-OD2 2.74Å; R42-D45 PolarHBondContact NH1-OD2 3.45Å; R42-D45 IonicContact NH2-OD1 2.7Å; R42-D45 PolarHBondContact NH2-OD1 2.95Å; R42-D45 IonicContact NH2-OD2 3.64Å; R42-D45 PolarHBondContact NH2-OD2 2.99Å; D45-I47 HydrophobicContact CB-CD1 4.25Å; D45-I47 HydrophobicContact CB-CG1 3.95Å; D45-A68 WeakPolarHBondContact O-CB 3.49Å; D45-D86 HydrophobicContact CB-CB 4.47Å; D45-D86 PolarHBondContact N-OD1 3.34Å; D45-D86 WeakPolarHBondContact O-CA 3.45Å; D45-T87 PolarHBondContact O-N 3.29Å; D45-I117 HydrophobicContact CB-CG2 4.07Å; D45-A119 WeakPolarHBondContact CA-O 3.42Å; D45-H120 WeakPolarHBondContact OD1-CA 3.28Å; D45-G121 PolarHBondContact OD1-N 2.82Å |
| 46 | V | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.9 | 162.6 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | V12 F66 A68 V89 V118 A119 | V12-V46 HydrophobicContact CB-CG1 4.22Å; V12-V46 HydrophobicContact CG1-CG1 4.11Å; V46-F66 HydrophobicContact CG1-CB 4.29Å; V46-A68 HydrophobicContact CG2-CB 3.89Å; V46-V89 HydrophobicContact CG1-CG2 4.23Å; V46-V118 HydrophobicContact CB-CG2 4.08Å; V46-V118 HydrophobicContact CG1-CG2 3.81Å; V46-V118 WeakPolarHBondContact O-CG2 3.46Å; V46-V118 PolarHBondContact O-N 3.4Å; V46-A119 HydrophobicContact CB-CB 4.19Å; V46-A119 HydrophobicContact CG2-CB 4.36Å; V46-A119 PolarHBondContact N-O 3.27Å; V46-A119 PolarHBondContact O-N 3.24Å |
| 47 | I | 97.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125 | -171.6 | -49.7 | -176.4 | 0 | 0 | 0 | 108.1 | D45 D86 T87 Y88 V89 E115 L116 I117 | D45-I47 HydrophobicContact CB-CD1 4.25Å; D45-I47 HydrophobicContact CB-CG1 3.95Å; I47-D86 HydrophobicContact CD1-CB 3.95Å; I47-D86 HydrophobicContact CG1-CB 4.45Å; I47-T87 PolarHBondContact N-O 3.16Å; I47-Y88 HydrophobicContact CB-CD1 4.16Å; I47-Y88 HydrophobicContact CB-CE1 4.32Å; I47-Y88 HydrophobicContact CD1-CE1 3.99Å; I47-Y88 HydrophobicContact CG2-CD1 4.27Å; I47-Y88 HydrophobicContact CG2-CE1 4.29Å; I47-Y88 CarbonylContact O-C 3.6Å; I47-Y88 WeakPolarHBondContact O-CA 3.27Å; I47-V89 PolarHBondContact O-N 2.85Å; I47-E115 HydrophobicContact CG2-CB 3.81Å; I47-E115 HydrophobicContact CG2-CG 4.16Å; I47-L116 WeakPolarHBondContact CA-O 3.47Å; I47-I117 HydrophobicContact CD1-CG1 4.38Å; I47-I117 HydrophobicContact CG1-CG1 4.15Å |
| 48 | L | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 136.5 | 167.3 | -60.6 | -176.2 | 0 | 0 | 0 | 108.7 | V89 V91 V97 L109 E115 L116 V118 I153 L155 | L48-V89 WeakPolarHBondContact CA-O 3.36Å; L48-V89 HydrophobicContact CD2-CB 3.75Å; L48-V89 HydrophobicContact CD2-CG1 3.94Å; L48-V91 HydrophobicContact CB-CG2 4.45Å; L48-V91 HydrophobicContact CD1-CG1 4.48Å; L48-V91 HydrophobicContact CD2-CG1 4.23Å; L48-V97 HydrophobicContact CD1-CG1 4.06Å; L48-V97 HydrophobicContact CD1-CG2 3.62Å; L48-L109 HydrophobicContact CB-CD1 3.55Å; L48-L109 HydrophobicContact CD1-CD1 4Å; L48-L109 HydrophobicContact CG-CD1 4.45Å; L48-E115 CarbonylContact O-C 3.44Å; L48-E115 WeakPolarHBondContact O-CA 3.42Å; L48-L116 PolarHBondContact N-O 2.87Å; L48-L116 PolarHBondContact O-N 3.07Å; L48-V118 HydrophobicContact CD1-CG1 3.6Å; L48-V118 HydrophobicContact CD2-CG2 4.44Å; L48-V118 HydrophobicContact CG-CG1 3.68Å; L48-V118 HydrophobicContact CG-CG2 4.1Å; L48-I153 HydrophobicContact CD1-CD1 4.15Å; L48-L155 HydrophobicContact CD1-CD2 3.69Å |
| 49 | V | 96.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.3 | 178.1 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | V89 S90 V91 Q114 E115 | V49-V89 PolarHBondContact N-O 3.44Å; V49-S90 CarbonylContact O-C 3.52Å; V49-S90 VanDerWaalsContact O-CA 3.28Å; V49-S90 WeakPolarHBondContact O-CA 3.28Å; V49-V91 PolarHBondContact O-N 3.16Å; V49-Q114 WeakPolarHBondContact CA-O 3.39Å; V49-E115 HydrophobicContact CB-CG 4.45Å; V49-E115 HydrophobicContact CG2-CG 4.19Å |
| 50 | V | 88.7 | Confident | 90.5 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.6 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | V91 P93 L109 E111 N112 G113 Q114 | V50-V91 WeakPolarHBondContact CA-O 3.25Å; V50-P93 HydrophobicContact CG1-CB 3.75Å; V50-P93 HydrophobicContact CG1-CG 4.43Å; V50-L109 HydrophobicContact CG2-CB 3.59Å; V50-L109 HydrophobicContact CG2-CD2 4.06Å; V50-L109 HydrophobicContact CG2-CG 4.33Å; V50-E111 WeakPolarHBondContact CB-O 3.29Å; V50-E111 WeakPolarHBondContact CG1-O 3.31Å; V50-E111 VanDerWaalsContact CG2-O 3.26Å; V50-E111 WeakPolarHBondContact CG2-O 3.35Å; V50-N112 PolarHBondContact O-OD1 3.12Å; V50-G113 PolarHBondContact O-N 3.19Å; V50-Q114 HydrophobicContact CG2-CB 4.08Å; V50-Q114 PolarHBondContact N-O 2.79Å |
| 51 | D | 88.8 | Confident | 89.7 | Confident | 63 Ų | 63 | 34.4 Ų | 34.4 | 34% | 0.337 | 18% | 0.177 | S | C | . | . | trans | -124.7 | 112.1 | 171.9 | -176.7 | -14 | 0 | 0 | 0 | 109.6 | G53 L54 V91 | D51-G53 PolarHBondContact O-N 3.19Å; D51-G53 WeakPolarHBondContact OD1-CA 2.97Å; D51-G53 PolarHBondContact OD1-N 2.93Å; D51-L54 HydrophobicContact CB-CD1 4.04Å; D51-L54 HydrophobicContact CB-CG 4.02Å; D51-L54 WeakPolarHBondContact O-CB 3.24Å; D51-L54 PolarHBondContact O-N 3.49Å; D51-V91 PolarHBondContact N-O 3.05Å | ||
| 52 | E | 80.6 | Confident | 89 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.8 | 177.3 | -79.8 | 176 | 173.8 | 0 | 0 | 114.5 | L54 R55 N112 | E52-L54 PolarHBondContact O-N 3.37Å; E52-R55 PolarHBondContact O-NH2 2.68Å; E52-N112 VanDerWaalsContact CD-CB 3.49Å; E52-N112 VanDerWaalsContact CD-CG 3.41Å; E52-N112 VanDerWaalsContact CD-ND2 3.25Å; E52-N112 HydrophobicContact CG-CB 3.67Å; E52-N112 VanDerWaalsContact CG-CG 3.47Å; E52-N112 PolarHBondContact N-OD1 3.04Å; E52-N112 VanDerWaalsContact OE1-CB 3.23Å; E52-N112 WeakPolarHBondContact OE1-CB 3.48Å; E52-N112 PolarHBondContact OE2-ND2 3.07Å; E52-N112 VanDerWaalsContact OE2-ND2 3.14Å |
| 53 | G | 80.8 | Confident | 88.6 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 64% | 0.639 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D51 | D51-G53 PolarHBondContact O-N 3.19Å; D51-G53 WeakPolarHBondContact OD1-CA 2.97Å; D51-G53 PolarHBondContact OD1-N 2.93Å |
| 54 | L | 84 | Confident | 88.4 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | trans | -92.6 | 136.7 | 179.7 | -57.2 | -179.5 | 0 | 0 | 0 | 111.2 | D51 E52 P92 | D51-L54 HydrophobicContact CB-CD1 4.04Å; D51-L54 HydrophobicContact CB-CG 4.02Å; D51-L54 WeakPolarHBondContact O-CB 3.24Å; D51-L54 PolarHBondContact O-N 3.49Å; E52-L54 PolarHBondContact O-N 3.37Å; L54-P92 HydrophobicContact CB-CB 4.22Å; L54-P92 HydrophobicContact CB-CG 3.86Å; L54-P92 WeakPolarHBondContact O-CB 3.48Å | ||
| 55 | R | 76.1 | Confident | 88.3 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | trans | -121.1 | -10.4 | -178.9 | -61.3 | -73.9 | 167.3 | 177.7 | -19.1 | 113.6 | E52 L157 D162 E343 | E52-R55 PolarHBondContact O-NH2 2.68Å; R55-L157 WeakPolarHBondContact O-CD2 3.43Å; R55-D162 IonicContact CZ-OD1 2.73Å; R55-D162 IonicContact NH1-OD1 2.69Å; R55-D162 PolarHBondContact NH1-OD1 2.81Å; R55-E343 IonicContact NH2-OE1 3.53Å | ||
| 56 | T | 81 | Confident | 88.2 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -147.4 | 160.5 | -173.8 | 80.5 | 0 | 0 | 0 | 0 | 110.1 | F4 M58 P92 | F4-T56 HydrophobicContact CD2-CG2 3.48Å; F4-T56 VanDerWaalsContact CD2-CG2 3.48Å; F4-T56 HydrophobicContact CE2-CG2 3.83Å; T56-M58 PolarHBondContact O-N 3.22Å; T56-M58 VanDerWaalsContact OG1-CB 3.29Å; T56-M58 WeakPolarHBondContact OG1-CB 3.05Å; T56-M58 WeakPolarHBondContact OG1-CG 3.39Å; T56-M58 PolarHBondContact OG1-N 2.96Å; T56-P92 VanDerWaalsContact O-CG 3.29Å; T56-P92 WeakPolarHBondContact O-CG 3.49Å |
| 57 | L | 86.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -87.6 | 21 | 173.4 | -61.5 | 171 | 0 | 0 | 0 | 112.5 | L5 D6 V8 D59 F60 P92 L155 L157 | L5-L57 HydrophobicContact CB-CB 4.49Å; L5-L57 WeakPolarHBondContact CD2-O 3.34Å; L5-L57 HydrophobicContact CG-CB 4.5Å; L5-L57 WeakPolarHBondContact O-CB 3.45Å; L5-L57 PolarHBondContact O-N 3.11Å; D6-L57 WeakPolarHBondContact O-CD1 3.37Å; V8-L57 HydrophobicContact CG1-CB 4.08Å; V8-L57 HydrophobicContact CG1-CD1 4.08Å; L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 3.28Å; L57-F60 HydrophobicContact CB-CD2 3.87Å; L57-F60 HydrophobicContact CD2-CD2 3.76Å; L57-F60 HydrophobicContact CD2-CE2 3.64Å; L57-F60 HydrophobicContact CG-CD2 4.44Å; L57-F60 WeakPolarHBondContact O-CB 3.39Å; L57-F60 WeakPolarHBondContact O-CD2 3.31Å; L57-F60 PolarHBondContact O-N 2.88Å; L57-F60 VanDerWaalsContact O-N 3.15Å; L57-P92 HydrophobicContact CD2-CG 4.22Å; L57-L155 HydrophobicContact CD1-CB 3.82Å; L57-L155 HydrophobicContact CD2-CB 4.37Å; L57-L155 HydrophobicContact CD2-CD1 4.27Å; L57-L157 HydrophobicContact CD1-CB 3.97Å; L57-L157 HydrophobicContact CG-CB 4.18Å |
| 58 | M | 83 | Confident | 88.2 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -61.8 | -30.7 | -174.8 | -79.1 | -67.3 | -63.8 | 0 | 0 | 114.1 | M3 L5 T56 F60 R61 | M3-M58 VanDerWaalsContact C-SD 3.55Å; M3-M58 WeakPolarHBondContact O-CG 3.47Å; L5-M58 HydrophobicContact CB-CG 4.26Å; L5-M58 HydrophobicContact CB-SD 3.75Å; T56-M58 PolarHBondContact O-N 3.22Å; T56-M58 VanDerWaalsContact OG1-CB 3.29Å; T56-M58 WeakPolarHBondContact OG1-CB 3.05Å; T56-M58 WeakPolarHBondContact OG1-CG 3.39Å; T56-M58 PolarHBondContact OG1-N 2.96Å; M58-F60 PolarHBondContact O-N 3.19Å; M58-R61 WeakPolarHBondContact O-CB 3.36Å; M58-R61 PolarHBondContact O-N 3.45Å |
| 59 | D | 85 | Confident | 88.3 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -60.7 | -30.1 | 179.3 | -66.8 | -9.8 | 0 | 0 | 0 | 111.7 | L57 R61 | L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 3.28Å; D59-R61 PolarHBondContact O-N 3.31Å |
| 60 | F | 89.3 | Confident | 88.4 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 2% | 0.022 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -75.9 | -9.6 | 176.3 | -59.3 | -77.5 | 0 | 0 | 0 | 113.9 | V8 I10 L57 M58 Y62 N63 R64 F66 V89 S90 V91 L155 | V8-F60 HydrophobicContact CB-CB 4.33Å; V8-F60 HydrophobicContact CG1-CB 3.7Å; V8-F60 HydrophobicContact CG1-CD2 4.39Å; V8-F60 HydrophobicContact CG1-CG 4.09Å; V8-F60 HydrophobicContact CG2-CB 3.95Å; I10-F60 HydrophobicContact CD1-CD1 4.19Å; I10-F60 HydrophobicContact CD1-CE1 4.06Å; I10-F60 HydrophobicContact CG2-CB 4.12Å; I10-F60 HydrophobicContact CG2-CD1 3.85Å; I10-F60 HydrophobicContact CG2-CG 4.32Å; L57-F60 HydrophobicContact CB-CD2 3.87Å; L57-F60 HydrophobicContact CD2-CD2 3.76Å; L57-F60 HydrophobicContact CD2-CE2 3.64Å; L57-F60 HydrophobicContact CG-CD2 4.44Å; L57-F60 WeakPolarHBondContact O-CB 3.39Å; L57-F60 WeakPolarHBondContact O-CD2 3.31Å; L57-F60 PolarHBondContact O-N 2.88Å; L57-F60 VanDerWaalsContact O-N 3.15Å; M58-F60 PolarHBondContact O-N 3.19Å; F60-Y62 VanDerWaalsContact C-N 3.3Å; F60-Y62 PolarHBondContact O-N 3.06Å; F60-N63 WeakPolarHBondContact CA-O 3.28Å; F60-R64 WeakPolarHBondContact O-CG 3.49Å; F60-F66 AromaticContact CD1-CE2 3.57Å; F60-F66 HydrophobicContact CD1-CE2 3.57Å; F60-F66 AromaticContact CD1-CZ 3.5Å; F60-F66 HydrophobicContact CD1-CZ 3.5Å; F60-F66 VanDerWaalsContact CD1-CZ 3.5Å; F60-F66 HydrophobicContact CE1-CE1 4.36Å; F60-F66 AromaticContact CE1-CE2 3.72Å; F60-F66 HydrophobicContact CE1-CE2 3.72Å; F60-F66 AromaticContact CE1-CZ 3.48Å; F60-F66 HydrophobicContact CE1-CZ 3.48Å; F60-F66 VanDerWaalsContact CE1-CZ 3.48Å; F60-V89 HydrophobicContact CE1-CG1 3.49Å; F60-V89 VanDerWaalsContact CE1-CG1 3.49Å; F60-V89 HydrophobicContact CZ-CG1 3.79Å; F60-S90 VanDerWaalsContact CZ-O 3.31Å; F60-S90 WeakPolarHBondContact CZ-O 3.47Å; F60-V91 HydrophobicContact CE2-CG1 3.98Å; F60-V91 HydrophobicContact CZ-CG1 3.61Å; F60-L155 HydrophobicContact CD1-CD1 4.29Å; F60-L155 HydrophobicContact CD2-CD1 4.35Å; F60-L155 HydrophobicContact CE1-CD1 4.04Å; F60-L155 HydrophobicContact CE2-CD1 4.14Å; F60-L155 HydrophobicContact CG-CD1 4.42Å; F60-L155 HydrophobicContact CZ-CD1 3.97Å |
| 61 | R | 81.7 | Confident | 88.8 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -62.3 | -42.6 | -179.9 | -175.3 | 175.7 | -178.3 | 167.6 | -0.9 | 111.4 | L5 M58 D59 R64 | L5-R61 HydrophobicContact CD2-CB 4.34Å; M58-R61 WeakPolarHBondContact O-CB 3.36Å; M58-R61 PolarHBondContact O-N 3.45Å; D59-R61 PolarHBondContact O-N 3.31Å; R61-R64 PolarHBondContact O-NE 3.26Å |
| 62 | Y | 83.5 | Confident | 89.2 | Confident | 190 Ų | 190 | 69.2 Ų | 69.2 | 75% | 0.745 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -29 | -175.7 | -57 | -71.7 | 0 | 0 | 0 | 112.6 | F60 | F60-Y62 VanDerWaalsContact C-N 3.3Å; F60-Y62 PolarHBondContact O-N 3.06Å |
| 63 | N | 90 | Very high | 90.1 | Very high | 84 Ų | 84 | 69.5 Ų | 69.5 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | trans | -112.7 | 103.1 | 175.5 | -170.2 | 20.1 | 0 | 0 | 0 | 110.9 | F60 F66 | F60-N63 WeakPolarHBondContact CA-O 3.28Å; N63-F66 HydrophobicContact CB-CZ 4.44Å; N63-F66 WeakPolarHBondContact ND2-CE1 3.28Å; N63-F66 WeakPolarHBondContact O-CE2 3.13Å; N63-F66 WeakPolarHBondContact O-CZ 3.3Å | ||
| 64 | R | 92.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 66.9 Ų | 66.9 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | trans | -110.9 | -3.7 | -177.5 | -65 | -176.6 | -175 | -151.3 | -2.4 | 114.2 | I10 D11 F60 R61 | I10-R64 WeakPolarHBondContact CA-O 3.25Å; I10-R64 HydrophobicContact CG2-CB 4.48Å; D11-R64 PolarHBondContact N-O 3.04Å; F60-R64 WeakPolarHBondContact O-CG 3.49Å; R61-R64 PolarHBondContact O-NE 3.26Å | ||
| 65 | H | 96 | Very high | 91.5 | Very high | 111 Ų | 111 | 69.7 Ų | 69.7 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.9 | -174.8 | -63.9 | -74 | 0 | 0 | 0 | 109.4 | D11 | D11-H65 WeakPolarHBondContact CB-ND1 3.39Å; D11-H65 WeakPolarHBondContact O-CA 3.02Å; D11-H65 IonicContact OD1-CE1 3.94Å; D11-H65 IonicContact OD1-CG 3.72Å; D11-H65 IonicContact OD1-ND1 2.77Å; D11-H65 PolarHBondContact OD1-ND1 2.89Å |
| 66 | F | 96.8 | Very high | 92.4 | Very high | 23 Ų | 23 | 69.1 Ų | 69.1 | 10% | 0.101 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.4 | 179 | -60.5 | -87.8 | 0 | 0 | 0 | 109 | I10 D11 V12 K13 V46 F60 N63 V89 | I10-F66 HydrophobicContact CB-CD2 4.28Å; I10-F66 HydrophobicContact CB-CE2 4.18Å; I10-F66 HydrophobicContact CD1-CD2 3.74Å; I10-F66 HydrophobicContact CD1-CE2 3.79Å; I10-F66 HydrophobicContact CG2-CE2 4.16Å; D11-F66 PolarHBondContact O-N 3.46Å; V12-F66 WeakPolarHBondContact CA-O 3.38Å; V12-F66 HydrophobicContact CG1-CB 4.34Å; K13-F66 PolarHBondContact N-O 2.87Å; V46-F66 HydrophobicContact CG1-CB 4.29Å; F60-F66 AromaticContact CD1-CE2 3.57Å; F60-F66 HydrophobicContact CD1-CE2 3.57Å; F60-F66 AromaticContact CD1-CZ 3.5Å; F60-F66 HydrophobicContact CD1-CZ 3.5Å; F60-F66 VanDerWaalsContact CD1-CZ 3.5Å; F60-F66 HydrophobicContact CE1-CE1 4.36Å; F60-F66 AromaticContact CE1-CE2 3.72Å; F60-F66 HydrophobicContact CE1-CE2 3.72Å; F60-F66 AromaticContact CE1-CZ 3.48Å; F60-F66 HydrophobicContact CE1-CZ 3.48Å; F60-F66 VanDerWaalsContact CE1-CZ 3.48Å; N63-F66 HydrophobicContact CB-CZ 4.44Å; N63-F66 WeakPolarHBondContact ND2-CE1 3.28Å; N63-F66 WeakPolarHBondContact O-CE2 3.13Å; N63-F66 WeakPolarHBondContact O-CZ 3.3Å; F66-V89 HydrophobicContact CB-CG2 4.04Å; F66-V89 HydrophobicContact CD1-CB 4.26Å; F66-V89 HydrophobicContact CD1-CG1 3.8Å; F66-V89 HydrophobicContact CD1-CG2 3.39Å; F66-V89 HydrophobicContact CE1-CB 4.43Å; F66-V89 HydrophobicContact CE1-CG1 3.57Å; F66-V89 HydrophobicContact CE1-CG2 4.01Å; F66-V89 HydrophobicContact CE2-CG1 4.39Å; F66-V89 HydrophobicContact CG-CG1 4.28Å; F66-V89 HydrophobicContact CG-CG2 3.8Å; F66-V89 HydrophobicContact CZ-CG1 3.89Å |
| 67 | R | 97.3 | Very high | 93.1 | Very high | 157 Ų | 157 | 76.6 Ų | 76.6 | 59% | 0.592 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.4 | -174.1 | -57.8 | -172 | 177.1 | 161.5 | 0.5 | 110.3 | K13 T87 | K13-R67 HydrophobicContact CB-CG 4.2Å; K13-R67 CarbonylContact O-C 3.5Å; K13-R67 VanDerWaalsContact O-CA 3.24Å; K13-R67 WeakPolarHBondContact O-CA 3.4Å; R67-T87 PolarHBondContact O-OG1 3.3Å |
| 68 | A | 97.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 77.9 Ų | 77.9 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 156.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K13 G44 D45 V46 T87 | K13-A68 PolarHBondContact O-N 3.04Å; G44-A68 WeakPolarHBondContact O-CB 3.37Å; D45-A68 WeakPolarHBondContact O-CB 3.49Å; V46-A68 HydrophobicContact CG2-CB 3.89Å; A68-T87 VanDerWaalsContact CA-OG1 3.3Å; A68-T87 WeakPolarHBondContact CA-OG1 3.39Å |
| 69 | T | 97.8 | Very high | 94 | Very high | 67 Ų | 67 | 81.3 Ų | 81.3 | 41% | 0.411 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 139.8 | -175.9 | 56.9 | 0 | 0 | 0 | 0 | 111 | G15 G44 A84 E85 | G15-T69 VanDerWaalsContact CA-O 3.3Å; G15-T69 WeakPolarHBondContact CA-O 3.35Å; G44-T69 PolarHBondContact N-O 2.89Å; T69-A84 WeakPolarHBondContact O-CB 3.37Å; T69-A84 WeakPolarHBondContact OG1-CB 3.5Å; T69-E85 PolarHBondContact OG1-N 2.95Å; T69-E85 PolarHBondContact OG1-O 3.14Å |
| 70 | P | 98.1 | Very high | 94.6 | Very high | 88 Ų | 88 | 81.9 Ų | 81.9 | 57% | 0.571 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 150.6 | 174.3 | 30.8 | -34.1 | 0 | 0 | 0 | 111.2 | K16 A84 | K16-P70 HydrophobicContact CB-CB 4.46Å; K16-P70 CarbonylContact O-C 3.53Å; K16-P70 VanDerWaalsContact O-CA 3.29Å; K16-P70 WeakPolarHBondContact O-CA 3.21Å; P70-A84 WeakPolarHBondContact O-CB 3.5Å |
| 71 | G | 98 | Very high | 95 | Very high | 7 Ų | 7 | 82.2 Ų | 82.2 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 151.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K16 G18 R42 | K16-G71 PolarHBondContact O-N 3.36Å; G18-G71 WeakPolarHBondContact CA-O 3.19Å; R42-G71 VanDerWaalsContact O-CA 3.31Å; R42-G71 WeakPolarHBondContact O-CA 3.45Å |
| 72 | E | 98.4 | Very high | 95.8 | Very high | 100 Ų | 100 | 85.5 Ų | 85.5 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 150.6 | 178.4 | -63.1 | -178.1 | 167.5 | 0 | 0 | 111.6 | G18 G40 G41 G81 R82 | G18-E72 WeakPolarHBondContact CA-O 3.32Å; G40-E72 CarbonylContact C-O 3.55Å; G40-E72 WeakPolarHBondContact CA-O 3.49Å; G41-E72 PolarHBondContact N-O 3.27Å; E72-G81 WeakPolarHBondContact O-CA 3.44Å; E72-R82 HydrophobicContact CB-CB 4.5Å; E72-R82 HydrophobicContact CG-CB 4.2Å; E72-R82 PolarHBondContact N-O 3.17Å; E72-R82 WeakPolarHBondContact OE2-CB 3.42Å; E72-R82 PolarHBondContact OE2-N 3.45Å |
| 73 | N | 98.2 | Very high | 96.4 | Very high | 85 Ų | 85 | 78.3 Ų | 78.3 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 150.1 | 176.9 | -66.2 | -9.7 | 0 | 0 | 0 | 111.5 | G18 D19 G81 | G18-N73 WeakPolarHBondContact CA-OD1 3.27Å; D19-N73 PolarHBondContact N-OD1 3.19Å; D19-N73 WeakPolarHBondContact O-CA 3.1Å; N73-G81 WeakPolarHBondContact O-CA 3.42Å |
| 74 | G | 97.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 75.5 Ų | 75.5 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 150.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D19 D39 | D19-G74 PolarHBondContact O-N 2.68Å; D39-G74 VanDerWaalsContact O-CA 3.31Å; D39-G74 WeakPolarHBondContact O-CA 3.03Å |
| 75 | M | 97.4 | Very high | 97 | Very high | 90 Ų | 90 | 76.3 Ų | 76.3 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | trans | -122.8 | 171.3 | -178 | -58.1 | -179.7 | -166.4 | 0 | 0 | 110.9 | M21 G38 M79 | M21-M75 VanDerWaalsContact SD-C 3.53Å; G38-M75 PolarHBondContact N-O 2.79Å; M75-M79 HydrophobicContact CB-CB 3.9Å; M75-M79 PolarHBondContact N-O 2.96Å; M75-M79 HydrophobicContact SD-CE 4.41Å | ||
| 76 | S | 95.6 | Very high | 97.1 | Very high | 57 Ų | 57 | 73.4 Ų | 73.4 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -62.2 | 166.9 | 174.2 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | M21 A36 G78 M79 | M21-S76 PolarHBondContact SD-N 3.32Å; M21-S76 VanDerWaalsContact SD-N 3.35Å; A36-S76 CarbonylContact O-C 3.56Å; S76-G78 PolarHBondContact O-N 2.95Å; S76-M79 WeakPolarHBondContact O-CB 3.31Å; S76-M79 PolarHBondContact O-N 3.2Å |
| 77 | K | 93.9 | Very high | 97.1 | Very high | 180 Ų | 180 | 74 Ų | 74 | 78% | 0.783 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 23.8 | -178.2 | -50.9 | 177.2 | 179.4 | 176.6 | 0 | 114.2 | A36 M79 | A36-K77 PolarHBondContact O-N 3.18Å; K77-M79 VanDerWaalsContact C-N 3.26Å; K77-M79 PolarHBondContact O-N 3.03Å |
| 78 | G | 92.5 | Very high | 97.1 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 20.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A36 S76 H80 | A36-G78 PolarHBondContact O-N 3.31Å; S76-G78 PolarHBondContact O-N 2.95Å; G78-H80 PolarHBondContact O-N 2.96Å |
| 79 | M | 96.8 | Very high | 97.1 | Very high | 104 Ų | 104 | 72.3 Ų | 72.3 | 51% | 0.512 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 117.9 | 179.9 | -73.1 | 179.3 | 67.1 | 0 | 0 | 110.1 | G38 M75 S76 K77 | G38-M79 WeakPolarHBondContact CA-O 3.25Å; M75-M79 HydrophobicContact CB-CB 3.9Å; M75-M79 PolarHBondContact N-O 2.96Å; M75-M79 HydrophobicContact SD-CE 4.41Å; S76-M79 WeakPolarHBondContact O-CB 3.31Å; S76-M79 PolarHBondContact O-N 3.2Å; K77-M79 VanDerWaalsContact C-N 3.26Å; K77-M79 PolarHBondContact O-N 3.03Å |
| 80 | H | 97.6 | Very high | 97 | Very high | 116 Ų | 116 | 71.6 Ų | 71.6 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 145.6 | 175.9 | -63.1 | -69.7 | 0 | 0 | 0 | 111.4 | D39 G78 | D39-H80 VanDerWaalsContact CB-ND1 3.28Å; D39-H80 WeakPolarHBondContact CB-ND1 3.43Å; D39-H80 PolarHBondContact N-ND1 3.35Å; D39-H80 CarbonylContact O-C 3.58Å; D39-H80 VanDerWaalsContact O-CA 3.24Å; D39-H80 WeakPolarHBondContact O-CA 3.34Å; D39-H80 IonicContact OD2-CE1 3.11Å; D39-H80 PolarHBondContact OD2-CE1 2.79Å; D39-H80 VanDerWaalsContact OD2-CE1 3.3Å; D39-H80 IonicContact OD2-ND1 3.98Å; G78-H80 PolarHBondContact O-N 2.96Å |
| 81 | G | 97.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 67.4 Ų | 67.4 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 145.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | D39 G41 E72 N73 | D39-G81 PolarHBondContact O-N 2.52Å; G41-G81 VanDerWaalsContact CA-O 3.29Å; G41-G81 WeakPolarHBondContact CA-O 3.2Å; G41-G81 PolarHBondContact N-O 3.15Å; E72-G81 WeakPolarHBondContact O-CA 3.44Å; N73-G81 WeakPolarHBondContact O-CA 3.42Å |
| 82 | R | 97.9 | Very high | 96.1 | Very high | 160 Ų | 160 | 67.1 Ų | 67.1 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 140.1 | 176.4 | -167.1 | -174.3 | 164.8 | -178.5 | -8.2 | 110.9 | E72 E85 | E72-R82 HydrophobicContact CB-CB 4.5Å; E72-R82 HydrophobicContact CG-CB 4.2Å; E72-R82 PolarHBondContact N-O 3.17Å; E72-R82 WeakPolarHBondContact OE2-CB 3.42Å; E72-R82 PolarHBondContact OE2-N 3.45Å; R82-E85 IonicContact NH2-OE1 3.92Å |
| 83 | G | 97.6 | Very high | 95.3 | Very high | 39 Ų | 39 | 64.1 Ų | 64.1 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -67 | 142.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R42 | R42-G83 CarbonylContact O-C 3.6Å; R42-G83 WeakPolarHBondContact O-CA 3.31Å |
| 84 | A | 97.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 21% | 0.207 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 161.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | R42 T69 P70 | R42-A84 PolarHBondContact O-N 3.48Å; T69-A84 WeakPolarHBondContact O-CB 3.37Å; T69-A84 WeakPolarHBondContact OG1-CB 3.5Å; P70-A84 WeakPolarHBondContact O-CB 3.5Å |
| 85 | E | 97.4 | Very high | 93.9 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 64% | 0.64 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 141.1 | 174.4 | -68.3 | 173.9 | -169.6 | 0 | 0 | 110 | T69 R82 | T69-E85 PolarHBondContact OG1-N 2.95Å; T69-E85 PolarHBondContact OG1-O 3.14Å; R82-E85 IonicContact NH2-OE1 3.92Å |
| 86 | D | 97.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 152.6 | 176.4 | -56.1 | -37.9 | 0 | 0 | 0 | 110.5 | G44 D45 I47 Y88 | G44-D86 WeakPolarHBondContact CA-OD1 3.24Å; D45-D86 HydrophobicContact CB-CB 4.47Å; D45-D86 PolarHBondContact N-OD1 3.34Å; D45-D86 WeakPolarHBondContact O-CA 3.45Å; I47-D86 HydrophobicContact CD1-CB 3.95Å; I47-D86 HydrophobicContact CG1-CB 4.45Å; D86-Y88 HydrophobicContact CB-CE2 4Å |
| 87 | T | 97.8 | Very high | 92.9 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.5 | 176.8 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | D45 I47 R67 A68 V89 | D45-T87 PolarHBondContact O-N 3.29Å; I47-T87 PolarHBondContact N-O 3.16Å; R67-T87 PolarHBondContact O-OG1 3.3Å; A68-T87 VanDerWaalsContact CA-OG1 3.3Å; A68-T87 WeakPolarHBondContact CA-OG1 3.39Å; T87-V89 HydrophobicContact CG2-CG2 4.21Å |
| 88 | Y | 97.2 | Very high | 92.5 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 135.3 | 176.1 | -63.1 | -95.7 | 0 | 0 | 0 | 110.2 | I47 D86 | I47-Y88 HydrophobicContact CB-CD1 4.16Å; I47-Y88 HydrophobicContact CB-CE1 4.32Å; I47-Y88 HydrophobicContact CD1-CE1 3.99Å; I47-Y88 HydrophobicContact CG2-CD1 4.27Å; I47-Y88 HydrophobicContact CG2-CE1 4.29Å; I47-Y88 CarbonylContact O-C 3.6Å; I47-Y88 WeakPolarHBondContact O-CA 3.27Å; D86-Y88 HydrophobicContact CB-CE2 4Å |
| 89 | V | 96.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 108.8 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | V46 I47 L48 V49 F60 F66 T87 | V46-V89 HydrophobicContact CG1-CG2 4.23Å; I47-V89 PolarHBondContact O-N 2.85Å; L48-V89 WeakPolarHBondContact CA-O 3.36Å; L48-V89 HydrophobicContact CD2-CB 3.75Å; L48-V89 HydrophobicContact CD2-CG1 3.94Å; V49-V89 PolarHBondContact N-O 3.44Å; F60-V89 HydrophobicContact CE1-CG1 3.49Å; F60-V89 VanDerWaalsContact CE1-CG1 3.49Å; F60-V89 HydrophobicContact CZ-CG1 3.79Å; F66-V89 HydrophobicContact CB-CG2 4.04Å; F66-V89 HydrophobicContact CD1-CB 4.26Å; F66-V89 HydrophobicContact CD1-CG1 3.8Å; F66-V89 HydrophobicContact CD1-CG2 3.39Å; F66-V89 HydrophobicContact CE1-CB 4.43Å; F66-V89 HydrophobicContact CE1-CG1 3.57Å; F66-V89 HydrophobicContact CE1-CG2 4.01Å; F66-V89 HydrophobicContact CE2-CG1 4.39Å; F66-V89 HydrophobicContact CG-CG1 4.28Å; F66-V89 HydrophobicContact CG-CG2 3.8Å; F66-V89 HydrophobicContact CZ-CG1 3.89Å; T87-V89 HydrophobicContact CG2-CG2 4.21Å |
| 90 | S | 95.5 | Very high | 92 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 134.7 | -177.4 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | V49 F60 | V49-S90 CarbonylContact O-C 3.52Å; V49-S90 VanDerWaalsContact O-CA 3.28Å; V49-S90 WeakPolarHBondContact O-CA 3.28Å; F60-S90 VanDerWaalsContact CZ-O 3.31Å; F60-S90 WeakPolarHBondContact CZ-O 3.47Å |
| 91 | V | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152.5 | 174 | -66 | 0 | 0 | 0 | 0 | 110.8 | L48 V49 V50 D51 F60 T95 L109 L155 | L48-V91 HydrophobicContact CB-CG2 4.45Å; L48-V91 HydrophobicContact CD1-CG1 4.48Å; L48-V91 HydrophobicContact CD2-CG1 4.23Å; V49-V91 PolarHBondContact O-N 3.16Å; V50-V91 WeakPolarHBondContact CA-O 3.25Å; D51-V91 PolarHBondContact N-O 3.05Å; F60-V91 HydrophobicContact CE2-CG1 3.98Å; F60-V91 HydrophobicContact CZ-CG1 3.61Å; V91-T95 HydrophobicContact CB-CG2 4.33Å; V91-T95 HydrophobicContact CG2-CG2 4.49Å; V91-L109 HydrophobicContact CG2-CB 4.45Å; V91-L109 HydrophobicContact CG2-CD1 3.56Å; V91-L155 HydrophobicContact CG1-CD1 4.1Å |
| 92 | P | 85.4 | Confident | 91 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | trans | -62.4 | 153.2 | 171.6 | -18.3 | 29.8 | 0 | 0 | 0 | 112.4 | L54 T56 L57 T95 L157 | L54-P92 HydrophobicContact CB-CB 4.22Å; L54-P92 HydrophobicContact CB-CG 3.86Å; L54-P92 WeakPolarHBondContact O-CB 3.48Å; T56-P92 VanDerWaalsContact O-CG 3.29Å; T56-P92 WeakPolarHBondContact O-CG 3.49Å; L57-P92 HydrophobicContact CD2-CG 4.22Å; P92-T95 WeakPolarHBondContact O-CB 3.25Å; P92-T95 PolarHBondContact O-OG1 3.27Å; P92-L157 HydrophobicContact CB-CD1 3.77Å; P92-L157 HydrophobicContact CB-CD2 4.23Å; P92-L157 HydrophobicContact CG-CD1 4.36Å; P92-L157 HydrophobicContact CG-CD2 4.22Å | ||
| 93 | P | 82 | Confident | 90.2 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 146 | 170.1 | 26.4 | -34 | 0 | 0 | 0 | 111.4 | V50 I110 L157 | V50-P93 HydrophobicContact CG1-CB 3.75Å; V50-P93 HydrophobicContact CG1-CG 4.43Å; P93-I110 WeakPolarHBondContact CB-O 3.48Å; P93-L157 VanDerWaalsContact O-CD1 3.29Å; P93-L157 WeakPolarHBondContact O-CD1 3.26Å |
| 94 | G | 79.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 17.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L109 K158 | G94-L109 CarbonylContact C-O 3.58Å; G94-L109 VanDerWaalsContact CA-O 3.3Å; G94-L109 WeakPolarHBondContact CA-O 3.47Å; G94-L109 PolarHBondContact N-O 2.8Å; G94-K158 PolarHBondContact O-N 3.11Å |
| 95 | T | 86.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 117.9 | 177 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | V91 P92 V97 L109 L155 | V91-T95 HydrophobicContact CB-CG2 4.33Å; V91-T95 HydrophobicContact CG2-CG2 4.49Å; P92-T95 WeakPolarHBondContact O-CB 3.25Å; P92-T95 PolarHBondContact O-OG1 3.27Å; T95-V97 HydrophobicContact CG2-CG2 4.3Å; T95-L109 PolarHBondContact N-O 3.03Å; T95-L109 WeakPolarHBondContact O-CB 3.01Å; T95-L109 PolarHBondContact O-N 2.82Å; T95-L155 HydrophobicContact CG2-CB 4.05Å; T95-L155 HydrophobicContact CG2-CD2 4.16Å |
| 96 | T | 83.3 | Confident | 87.9 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.2 | 169.4 | -70.2 | 0 | 0 | 0 | 0 | 109.6 | R98 L105 D108 L155 E156 K158 | T96-R98 HydrophobicContact CG2-CG 4.24Å; T96-L105 HydrophobicContact CG2-CD1 3.62Å; T96-D108 VanDerWaalsContact CA-OD1 3.26Å; T96-D108 WeakPolarHBondContact CA-OD1 3.18Å; T96-D108 WeakPolarHBondContact CB-OD1 3.04Å; T96-D108 VanDerWaalsContact CG2-OD1 3.27Å; T96-D108 WeakPolarHBondContact CG2-OD1 3.19Å; T96-D108 PolarHBondContact OG1-OD1 3.28Å; T96-L155 WeakPolarHBondContact O-CA 3.28Å; T96-E156 PolarHBondContact N-O 2.67Å; T96-E156 PolarHBondContact O-N 2.71Å; T96-K158 WeakPolarHBondContact OG1-CE 3.5Å; T96-K158 PolarHBondContact OG1-NZ 2.75Å |
| 97 | V | 89 | Confident | 87.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.9 | -176.2 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | L48 T95 I106 G107 L109 L116 V118 I153 E154 L155 | L48-V97 HydrophobicContact CD1-CG1 4.06Å; L48-V97 HydrophobicContact CD1-CG2 3.62Å; T95-V97 HydrophobicContact CG2-CG2 4.3Å; V97-I106 HydrophobicContact CB-CB 4.41Å; V97-I106 HydrophobicContact CG1-CB 4.19Å; V97-I106 HydrophobicContact CG1-CD1 4.21Å; V97-I106 PolarHBondContact O-N 2.69Å; V97-G107 PolarHBondContact N-O 2.57Å; V97-G107 PolarHBondContact O-N 3.24Å; V97-L109 HydrophobicContact CG2-CD1 4.07Å; V97-L116 HydrophobicContact CB-CD2 3.99Å; V97-L116 HydrophobicContact CG1-CD2 4.42Å; V97-L116 HydrophobicContact CG2-CD2 3.86Å; V97-V118 HydrophobicContact CG1-CG1 3.95Å; V97-I153 HydrophobicContact CG1-CB 4.27Å; V97-I153 HydrophobicContact CG1-CD1 4.09Å; V97-E154 WeakPolarHBondContact CA-O 3.38Å; V97-L155 HydrophobicContact CB-CD2 4.34Å; V97-L155 HydrophobicContact CG1-CD2 3.97Å; V97-L155 HydrophobicContact CG2-CD2 3.85Å |
| 98 | R | 85.5 | Confident | 86.5 | Confident | 90 Ų | 90 | 39 Ų | 39 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151.8 | 178.9 | -66.8 | -178 | 174.2 | 172 | -1 | 111.5 | T96 A100 A104 L105 I153 E154 | T96-R98 HydrophobicContact CG2-CG 4.24Å; R98-A100 PolarHBondContact O-N 3.46Å; R98-A104 CarbonylContact C-O 3.56Å; R98-A104 VanDerWaalsContact CA-O 3.24Å; R98-A104 WeakPolarHBondContact CA-O 2.82Å; R98-L105 HydrophobicContact CG-CD1 4.17Å; R98-I153 CarbonylContact O-C 3.54Å; R98-I153 VanDerWaalsContact O-CA 3.22Å; R98-I153 WeakPolarHBondContact O-CA 3.46Å; R98-I153 WeakPolarHBondContact O-CB 3.44Å; R98-E154 HydrophobicContact CB-CB 4.43Å; R98-E154 PolarHBondContact N-O 3.03Å; R98-E154 PolarHBondContact O-N 3.49Å |
| 99 | D | 87.2 | Confident | 85.8 | Confident | 20 Ų | 20 | 33.1 Ų | 33.1 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123.9 | 166.4 | -175.7 | -81.6 | 0 | 0 | 0 | 108.9 | D101 T102 G103 A104 I106 | D99-D101 VanDerWaalsContact C-N 3.29Å; D99-D101 PolarHBondContact O-N 2.86Å; D99-D101 PolarHBondContact OD1-N 3.03Å; D99-D101 VanDerWaalsContact OD1-N 3.12Å; D99-T102 VanDerWaalsContact CB-OG1 3.29Å; D99-T102 WeakPolarHBondContact CB-OG1 3.4Å; D99-T102 VanDerWaalsContact CG-OG1 3.23Å; D99-T102 PolarHBondContact OD1-N 3.41Å; D99-T102 PolarHBondContact OD1-OG1 3.1Å; D99-G103 WeakPolarHBondContact O-CA 3.41Å; D99-G103 PolarHBondContact O-N 3.32Å; D99-A104 HydrophobicContact CB-CB 4.43Å; D99-A104 PolarHBondContact N-O 2.95Å; D99-I106 HydrophobicContact CB-CD1 4.23Å; D99-I106 HydrophobicContact CB-CG1 4.44Å |
| 100 | A | 91.1 | Very high | 84.9 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | T9 R98 N152 E154 | T9-A100 HydrophobicContact CG2-CB 3.81Å; R98-A100 PolarHBondContact O-N 3.46Å; A100-N152 HydrophobicContact CB-CB 3.77Å; A100-N152 WeakPolarHBondContact CB-O 3.23Å; A100-N152 PolarHBondContact N-O 2.98Å; A100-E154 HydrophobicContact CB-CB 4.43Å |
| 101 | D | 89.1 | Confident | 84.1 | Confident | 121 Ų | 121 | 40.6 Ų | 40.6 | 65% | 0.647 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -38.2 | -176.6 | -63.9 | -47.6 | 0 | 0 | 0 | 111.2 | D99 | D99-D101 VanDerWaalsContact C-N 3.29Å; D99-D101 PolarHBondContact O-N 2.86Å; D99-D101 PolarHBondContact OD1-N 3.03Å; D99-D101 VanDerWaalsContact OD1-N 3.12Å |
| 102 | T | 85.4 | Confident | 83.7 | Confident | 90 Ų | 90 | 44.7 Ų | 44.7 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -19.5 | -177.8 | 62.9 | 0 | 0 | 0 | 0 | 114 | D99 A104 | D99-T102 VanDerWaalsContact CB-OG1 3.29Å; D99-T102 WeakPolarHBondContact CB-OG1 3.4Å; D99-T102 VanDerWaalsContact CG-OG1 3.23Å; D99-T102 PolarHBondContact OD1-N 3.41Å; D99-T102 PolarHBondContact OD1-OG1 3.1Å; T102-A104 PolarHBondContact O-N 3.13Å; T102-A104 WeakPolarHBondContact OG1-CB 3.13Å; T102-A104 PolarHBondContact OG1-N 3.46Å |
| 103 | G | 80.7 | Confident | 83.8 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 49% | 0.485 | 28% | 0.278 | S | S | . | . | trans | 72.5 | 5.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | D99 | D99-G103 WeakPolarHBondContact O-CA 3.41Å; D99-G103 PolarHBondContact O-N 3.32Å | ||
| 104 | A | 80.4 | Confident | 84.1 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | trans | -66.5 | 137.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R98 D99 T102 I106 | R98-A104 CarbonylContact C-O 3.56Å; R98-A104 VanDerWaalsContact CA-O 3.24Å; R98-A104 WeakPolarHBondContact CA-O 2.82Å; D99-A104 HydrophobicContact CB-CB 4.43Å; D99-A104 PolarHBondContact N-O 2.95Å; T102-A104 PolarHBondContact O-N 3.13Å; T102-A104 WeakPolarHBondContact OG1-CB 3.13Å; T102-A104 PolarHBondContact OG1-N 3.46Å; A104-I106 PolarHBondContact O-N 2.76Å | ||
| 105 | L | 79.7 | Confident | 84.9 | Confident | 56 Ų | 56 | 51 Ų | 51 | 29% | 0.293 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.2 | 172.9 | -177.7 | 66.8 | 0 | 0 | 0 | 109.5 | T96 R98 Y358 | T96-L105 HydrophobicContact CG2-CD1 3.62Å; R98-L105 HydrophobicContact CG-CD1 4.17Å; L105-Y358 HydrophobicContact CD2-CD2 4.35Å; L105-Y358 HydrophobicContact CD2-CE2 3.77Å; L105-Y358 HydrophobicContact CG-CD2 4.43Å; L105-Y358 HydrophobicContact CG-CE2 4.33Å |
| 106 | I | 85.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -46.1 | 175.4 | -59.8 | 178 | 0 | 0 | 0 | 109.2 | V97 D99 A104 L116 I153 | V97-I106 HydrophobicContact CB-CB 4.41Å; V97-I106 HydrophobicContact CG1-CB 4.19Å; V97-I106 HydrophobicContact CG1-CD1 4.21Å; V97-I106 PolarHBondContact O-N 2.69Å; D99-I106 HydrophobicContact CB-CD1 4.23Å; D99-I106 HydrophobicContact CB-CG1 4.44Å; A104-I106 PolarHBondContact O-N 2.76Å; I106-L116 HydrophobicContact CG2-CD2 4.21Å; I106-I153 HydrophobicContact CD1-CG2 3.67Å |
| 107 | G | 82.2 | Confident | 85.8 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | 170.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V97 | V97-G107 PolarHBondContact N-O 2.57Å; V97-G107 PolarHBondContact O-N 3.24Å |
| 108 | D | 83.1 | Confident | 86.1 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.8 | 173.6 | -75.3 | -36.1 | 0 | 0 | 0 | 109.3 | T96 I110 Q114 K158 | T96-D108 VanDerWaalsContact CA-OD1 3.26Å; T96-D108 WeakPolarHBondContact CA-OD1 3.18Å; T96-D108 WeakPolarHBondContact CB-OD1 3.04Å; T96-D108 VanDerWaalsContact CG2-OD1 3.27Å; T96-D108 WeakPolarHBondContact CG2-OD1 3.19Å; T96-D108 PolarHBondContact OG1-OD1 3.28Å; D108-I110 HydrophobicContact CB-CD1 4.43Å; D108-I110 HydrophobicContact CB-CG1 4.42Å; D108-Q114 PolarHBondContact O-NE2 3.27Å; D108-K158 IonicContact OD1-NZ 2.76Å |
| 109 | L | 83.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107.9 | -178.2 | -75.5 | 170.4 | 0 | 0 | 0 | 108.9 | L48 V50 V91 G94 T95 V97 Q114 L116 | L48-L109 HydrophobicContact CB-CD1 3.55Å; L48-L109 HydrophobicContact CD1-CD1 4Å; L48-L109 HydrophobicContact CG-CD1 4.45Å; V50-L109 HydrophobicContact CG2-CB 3.59Å; V50-L109 HydrophobicContact CG2-CD2 4.06Å; V50-L109 HydrophobicContact CG2-CG 4.33Å; V91-L109 HydrophobicContact CG2-CB 4.45Å; V91-L109 HydrophobicContact CG2-CD1 3.56Å; G94-L109 CarbonylContact C-O 3.58Å; G94-L109 VanDerWaalsContact CA-O 3.3Å; G94-L109 WeakPolarHBondContact CA-O 3.47Å; G94-L109 PolarHBondContact N-O 2.8Å; T95-L109 PolarHBondContact N-O 3.03Å; T95-L109 WeakPolarHBondContact O-CB 3.01Å; T95-L109 PolarHBondContact O-N 2.82Å; V97-L109 HydrophobicContact CG2-CD1 4.07Å; L109-Q114 HydrophobicContact CD2-CB 4.26Å; L109-Q114 HydrophobicContact CD2-CG 3.94Å; L109-L116 HydrophobicContact CD1-CB 4.15Å; L109-L116 HydrophobicContact CD1-CD2 4.33Å; L109-L116 HydrophobicContact CD2-CB 3.62Å; L109-L116 HydrophobicContact CG-CB 4.09Å; L109-L116 HydrophobicContact CG-CD2 4.26Å |
| 110 | I | 77.6 | Confident | 87 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | trans | -122.3 | -48.4 | -168.9 | -54.7 | 175 | 0 | 0 | 0 | 110.8 | P93 D108 | P93-I110 WeakPolarHBondContact CB-O 3.48Å; D108-I110 HydrophobicContact CB-CD1 4.43Å; D108-I110 HydrophobicContact CB-CG1 4.42Å | ||
| 111 | E | 77.5 | Confident | 87.3 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -86.3 | 144.7 | -173.5 | -64.3 | 179.4 | 178.9 | 0 | 0 | 111.5 | V50 G113 Q114 | V50-E111 WeakPolarHBondContact CB-O 3.29Å; V50-E111 WeakPolarHBondContact CG1-O 3.31Å; V50-E111 VanDerWaalsContact CG2-O 3.26Å; V50-E111 WeakPolarHBondContact CG2-O 3.35Å; E111-G113 PolarHBondContact O-N 3.4Å; E111-Q114 HydrophobicContact CB-CB 4.22Å; E111-Q114 VanDerWaalsContact N-OE1 3.1Å; E111-Q114 WeakPolarHBondContact O-CB 3.16Å; E111-Q114 PolarHBondContact O-N 2.7Å |
| 112 | N | 83.2 | Confident | 87.7 | Confident | 86 Ų | 86 | 46 Ų | 46 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 136.7 | 179 | -168.6 | 23.1 | 0 | 0 | 0 | 112.3 | V50 E52 Q114 | V50-N112 PolarHBondContact O-OD1 3.12Å; E52-N112 VanDerWaalsContact CD-CB 3.49Å; E52-N112 VanDerWaalsContact CD-CG 3.41Å; E52-N112 VanDerWaalsContact CD-ND2 3.25Å; E52-N112 HydrophobicContact CG-CB 3.67Å; E52-N112 VanDerWaalsContact CG-CG 3.47Å; E52-N112 PolarHBondContact N-OD1 3.04Å; E52-N112 VanDerWaalsContact OE1-CB 3.23Å; E52-N112 WeakPolarHBondContact OE1-CB 3.48Å; E52-N112 PolarHBondContact OE2-ND2 3.07Å; E52-N112 VanDerWaalsContact OE2-ND2 3.14Å; N112-Q114 PolarHBondContact O-N 3.19Å |
| 113 | G | 89.1 | Confident | 88.2 | Confident | 42 Ų | 42 | 48 Ų | 48 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 2.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | V50 E111 E115 | V50-G113 PolarHBondContact O-N 3.19Å; E111-G113 PolarHBondContact O-N 3.4Å; G113-E115 PolarHBondContact O-N 3.37Å |
| 114 | Q | 88 | Confident | 89 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | trans | -61.5 | 131.9 | 172.6 | -172.3 | -172 | -9.7 | 0 | 0 | 109.6 | V49 V50 D108 L109 E111 N112 | V49-Q114 WeakPolarHBondContact CA-O 3.39Å; V50-Q114 HydrophobicContact CG2-CB 4.08Å; V50-Q114 PolarHBondContact N-O 2.79Å; D108-Q114 PolarHBondContact O-NE2 3.27Å; L109-Q114 HydrophobicContact CD2-CB 4.26Å; L109-Q114 HydrophobicContact CD2-CG 3.94Å; E111-Q114 HydrophobicContact CB-CB 4.22Å; E111-Q114 VanDerWaalsContact N-OE1 3.1Å; E111-Q114 WeakPolarHBondContact O-CB 3.16Å; E111-Q114 PolarHBondContact O-N 2.7Å; N112-Q114 PolarHBondContact O-N 3.19Å | ||
| 115 | E | 96 | Very high | 89.8 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.4 | -179.2 | -68 | -178.2 | -178.7 | 0 | 0 | 111.3 | I47 L48 V49 G113 | I47-E115 HydrophobicContact CG2-CB 3.81Å; I47-E115 HydrophobicContact CG2-CG 4.16Å; L48-E115 CarbonylContact O-C 3.44Å; L48-E115 WeakPolarHBondContact O-CA 3.42Å; V49-E115 HydrophobicContact CB-CG 4.45Å; V49-E115 HydrophobicContact CG2-CG 4.19Å; G113-E115 PolarHBondContact O-N 3.37Å |
| 116 | L | 93.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 117.3 | 173.3 | 179.7 | 68.9 | 0 | 0 | 0 | 110.1 | I47 L48 V97 I106 L109 V118 | I47-L116 WeakPolarHBondContact CA-O 3.47Å; L48-L116 PolarHBondContact N-O 2.87Å; L48-L116 PolarHBondContact O-N 3.07Å; V97-L116 HydrophobicContact CB-CD2 3.99Å; V97-L116 HydrophobicContact CG1-CD2 4.42Å; V97-L116 HydrophobicContact CG2-CD2 3.86Å; I106-L116 HydrophobicContact CG2-CD2 4.21Å; L109-L116 HydrophobicContact CD1-CB 4.15Å; L109-L116 HydrophobicContact CD1-CD2 4.33Å; L109-L116 HydrophobicContact CD2-CB 3.62Å; L109-L116 HydrophobicContact CG-CB 4.09Å; L109-L116 HydrophobicContact CG-CD2 4.26Å; L116-V118 HydrophobicContact CD2-CG1 4.31Å; L116-V118 HydrophobicContact CG-CG1 4.33Å; L116-V118 PolarHBondContact O-N 3.02Å |
| 117 | I | 95.3 | Very high | 91.1 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 33% | 0.333 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.9 | 174.2 | -54.7 | 172.8 | 0 | 0 | 0 | 108.7 | D45 I47 | D45-I117 HydrophobicContact CB-CG2 4.07Å; I47-I117 HydrophobicContact CD1-CG1 4.38Å; I47-I117 HydrophobicContact CG1-CG1 4.15Å |
| 118 | V | 95 | Very high | 91.7 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -21.4 | 180 | -68.4 | 0 | 0 | 0 | 0 | 113 | V12 V46 L48 V97 L116 R151 I153 | V12-V118 HydrophobicContact CB-CG2 4.36Å; V12-V118 HydrophobicContact CG1-CG2 4.13Å; V12-V118 HydrophobicContact CG2-CG2 4.19Å; V46-V118 HydrophobicContact CB-CG2 4.08Å; V46-V118 HydrophobicContact CG1-CG2 3.81Å; V46-V118 WeakPolarHBondContact O-CG2 3.46Å; V46-V118 PolarHBondContact O-N 3.4Å; L48-V118 HydrophobicContact CD1-CG1 3.6Å; L48-V118 HydrophobicContact CD2-CG2 4.44Å; L48-V118 HydrophobicContact CG-CG1 3.68Å; L48-V118 HydrophobicContact CG-CG2 4.1Å; V97-V118 HydrophobicContact CG1-CG1 3.95Å; L116-V118 HydrophobicContact CD2-CG1 4.31Å; L116-V118 HydrophobicContact CG-CG1 4.33Å; L116-V118 PolarHBondContact O-N 3.02Å; V118-R151 VanDerWaalsContact O-CD 3.25Å; V118-R151 WeakPolarHBondContact O-CD 3.37Å; V118-R151 PolarHBondContact O-NE 3.39Å; V118-R151 VanDerWaalsContact O-NE 3.1Å; V118-I153 HydrophobicContact CB-CD1 3.89Å; V118-I153 HydrophobicContact CG1-CD1 3.87Å; V118-I153 HydrophobicContact CG2-CD1 3.93Å |
| 119 | A | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 122.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | V12 A14 D45 V46 Q149 | V12-A119 HydrophobicContact CG2-CB 4.16Å; A14-A119 HydrophobicContact CB-CB 3.83Å; A14-A119 WeakPolarHBondContact CB-O 3.34Å; D45-A119 WeakPolarHBondContact CA-O 3.42Å; V46-A119 HydrophobicContact CB-CB 4.19Å; V46-A119 HydrophobicContact CG2-CB 4.36Å; V46-A119 PolarHBondContact N-O 3.27Å; V46-A119 PolarHBondContact O-N 3.24Å; A119-Q149 HydrophobicContact CB-CB 4.1Å |
| 120 | H | 96.3 | Very high | 92.8 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 40% | 0.398 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 132.4 | 176.4 | -68 | -70.7 | 0 | 0 | 0 | 112.3 | A14 D45 Q149 | A14-H120 WeakPolarHBondContact CB-O 3.05Å; D45-H120 WeakPolarHBondContact OD1-CA 3.28Å; H120-Q149 HydrophobicContact CB-CG 4.25Å; H120-Q149 PolarHBondContact CD2-OE1 2.91Å; H120-Q149 PolarHBondContact O-N 3.44Å |
| 121 | G | 97 | Very high | 93.6 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 142.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G15 G43 G44 D45 | G15-G121 CarbonylContact O-C 3.57Å; G15-G121 WeakPolarHBondContact O-CA 3.31Å; G43-G121 WeakPolarHBondContact O-CA 3.32Å; G44-G121 WeakPolarHBondContact O-CA 3.21Å; D45-G121 PolarHBondContact OD1-N 2.82Å |
| 122 | G | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 140.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | G15 G17 G43 E146 | G15-G122 PolarHBondContact O-N 3.4Å; G17-G122 VanDerWaalsContact CA-O 3.26Å; G17-G122 WeakPolarHBondContact CA-O 3.3Å; G17-G122 PolarHBondContact N-O 2.95Å; G43-G122 PolarHBondContact N-O 2.77Å; G122-E146 WeakPolarHBondContact CA-O 3.34Å |
| 123 | R | 96.9 | Very high | 94.8 | Very high | 132 Ų | 132 | 43.8 Ų | 43.8 | 50% | 0.498 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 139.9 | 170.2 | -174.5 | -174.4 | 150.4 | -170.2 | -5.4 | 111.3 | E146 | R123-E146 HydrophobicContact CB-CB 4.22Å; R123-E146 VanDerWaalsContact CB-OE2 3.3Å; R123-E146 WeakPolarHBondContact CB-OE2 3.43Å; R123-E146 WeakPolarHBondContact O-CB 3.46Å; R123-E146 PolarHBondContact O-N 3.25Å |
| 124 | G | 97.3 | Very high | 95 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 138.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G40 G41 | G40-G124 WeakPolarHBondContact O-CA 3.35Å; G41-G124 VanDerWaalsContact O-CA 3.27Å; G41-G124 WeakPolarHBondContact O-CA 3.41Å |
| 125 | G | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 146.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G18 G20 D39 G40 E143 | G18-G125 PolarHBondContact O-N 2.84Å; G20-G125 WeakPolarHBondContact CA-O 3.45Å; D39-G125 CarbonylContact C-O 3.48Å; D39-G125 VanDerWaalsContact CA-O 3.24Å; D39-G125 WeakPolarHBondContact CA-O 3.46Å; D39-G125 WeakPolarHBondContact CB-O 3.36Å; G40-G125 PolarHBondContact N-O 2.84Å; G125-E143 CarbonylContact C-O 3.48Å; G125-E143 VanDerWaalsContact CA-O 3.28Å; G125-E143 WeakPolarHBondContact CA-O 3.27Å |
| 126 | R | 96.2 | Very high | 95 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 26% | 0.26 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 132.2 | 179.7 | -72.4 | -177.3 | -77.2 | 175 | -4.9 | 111.5 | D39 R130 F131 A142 E143 | D39-R126 WeakPolarHBondContact OD1-CA 3.27Å; R126-R130 HydrophobicContact CB-CB 4.01Å; R126-R130 HydrophobicContact CB-CG 4.16Å; R126-R130 HydrophobicContact CG-CB 4.25Å; R126-R130 HydrophobicContact CG-CG 4.15Å; R126-F131 HydrophobicContact CB-CE2 3.61Å; R126-F131 HydrophobicContact CB-CZ 3.67Å; R126-A142 CarbonylContact O-C 3.56Å; R126-A142 WeakPolarHBondContact O-CA 2.81Å; R126-E143 IonicContact CZ-OE1 3.59Å; R126-E143 IonicContact CZ-OE2 3.19Å; R126-E143 IonicContact NE-OE1 2.77Å; R126-E143 IonicContact NE-OE2 3.03Å; R126-E143 PolarHBondContact NE-OE2 2.79Å; R126-E143 VanDerWaalsContact NH2-CD 3.33Å; R126-E143 IonicContact NH2-OE1 2.65Å; R126-E143 PolarHBondContact NH2-OE1 2.92Å; R126-E143 IonicContact NH2-OE2 2.69Å; R126-E143 PolarHBondContact NH2-OE2 3.41Å; R126-E143 PolarHBondContact O-N 2.66Å |
| 127 | G | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 168.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M21 G38 D39 T129 R130 F131 | M21-G127 WeakPolarHBondContact O-CA 3.36Å; G38-G127 WeakPolarHBondContact O-CA 3.3Å; D39-G127 PolarHBondContact OD1-N 3.03Å; G127-T129 PolarHBondContact O-N 2.6Å; G127-T129 VanDerWaalsContact O-N 3.11Å; G127-R130 WeakPolarHBondContact O-CB 3.49Å; G127-R130 PolarHBondContact O-N 3.45Å; G127-F131 WeakPolarHBondContact O-CD2 3.36Å |
| 128 | N | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -62 | -24.5 | -175.5 | 74.1 | -21.7 | 0 | 0 | 0 | 114.2 | M21 V22 A23 P35 G37 R130 F131 A132 P139 L141 | M21-N128 PolarHBondContact O-N 3.38Å; V22-N128 HydrophobicContact CG1-CB 4.47Å; V22-N128 HydrophobicContact CG2-CB 4.38Å; A23-N128 PolarHBondContact N-ND2 3.18Å; A23-N128 PolarHBondContact O-ND2 3.48Å; A23-N128 PolarHBondContact O-OD1 2.82Å; P35-N128 HydrophobicContact CB-CB 4.5Å; G37-N128 VanDerWaalsContact CA-OD1 3.24Å; G37-N128 WeakPolarHBondContact CA-OD1 3.37Å; G37-N128 PolarHBondContact N-OD1 3.48Å; N128-R130 PolarHBondContact O-N 3.48Å; N128-F131 PolarHBondContact O-N 2.78Å; N128-A132 PolarHBondContact O-N 2.91Å; N128-P139 HydrophobicContact CB-CG 4.21Å; N128-P139 WeakPolarHBondContact CB-O 3.35Å; N128-P139 PolarHBondContact ND2-O 3.4Å; N128-P139 VanDerWaalsContact ND2-O 3.08Å; N128-P139 WeakPolarHBondContact O-CG 3.33Å; N128-L141 WeakPolarHBondContact CA-O 3.37Å; N128-L141 WeakPolarHBondContact CB-O 3.48Å |
| 129 | T | 95 | Very high | 94.7 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -58.4 | -31.7 | 174.3 | -46.5 | 0 | 0 | 0 | 0 | 112.7 | G37 G127 F131 | G37-T129 PolarHBondContact N-OG1 3.23Å; G37-T129 WeakPolarHBondContact O-CB 3.42Å; G37-T129 PolarHBondContact O-OG1 3.06Å; G127-T129 PolarHBondContact O-N 2.6Å; G127-T129 VanDerWaalsContact O-N 3.11Å; T129-F131 VanDerWaalsContact C-N 3.32Å; T129-F131 PolarHBondContact O-N 3.15Å |
| 130 | R | 94.5 | Very high | 94.5 | Very high | 161 Ų | 161 | 62.9 Ų | 62.9 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -75.3 | -17.9 | 178.5 | -71.6 | -70.6 | -165.8 | 166.8 | 2.1 | 114.2 | D39 R126 G127 N128 | D39-R130 WeakPolarHBondContact OD1-CG 3.44Å; D39-R130 IonicContact OD1-NE 3.39Å; D39-R130 IonicContact OD2-CZ 3.3Å; D39-R130 IonicContact OD2-NE 3.46Å; D39-R130 PolarHBondContact OD2-NE 3.24Å; D39-R130 IonicContact OD2-NH2 2.93Å; D39-R130 PolarHBondContact OD2-NH2 3.39Å; R126-R130 HydrophobicContact CB-CB 4.01Å; R126-R130 HydrophobicContact CB-CG 4.16Å; R126-R130 HydrophobicContact CG-CB 4.25Å; R126-R130 HydrophobicContact CG-CG 4.15Å; G127-R130 WeakPolarHBondContact O-CB 3.49Å; G127-R130 PolarHBondContact O-N 3.45Å; N128-R130 PolarHBondContact O-N 3.48Å |
| 131 | F | 93.9 | Very high | 94.3 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -97.1 | -7.7 | -179.4 | -62.9 | -69.8 | 0 | 0 | 0 | 112.9 | R126 G127 N128 T129 S133 P139 L141 E143 | R126-F131 HydrophobicContact CB-CE2 3.61Å; R126-F131 HydrophobicContact CB-CZ 3.67Å; G127-F131 WeakPolarHBondContact O-CD2 3.36Å; N128-F131 PolarHBondContact O-N 2.78Å; T129-F131 VanDerWaalsContact C-N 3.32Å; T129-F131 PolarHBondContact O-N 3.15Å; F131-S133 PolarHBondContact O-N 2.78Å; F131-P139 HydrophobicContact CB-CB 4Å; F131-P139 HydrophobicContact CB-CG 3.84Å; F131-L141 HydrophobicContact CB-CD2 4.1Å; F131-L141 HydrophobicContact CD1-CD2 3.55Å; F131-L141 HydrophobicContact CD1-CG 4.37Å; F131-L141 HydrophobicContact CD2-CB 4.39Å; F131-L141 HydrophobicContact CD2-CD2 3.93Å; F131-L141 HydrophobicContact CD2-CG 3.87Å; F131-L141 WeakPolarHBondContact CD2-O 3.4Å; F131-L141 HydrophobicContact CE1-CD2 3.95Å; F131-L141 HydrophobicContact CE2-CD2 4.27Å; F131-L141 HydrophobicContact CE2-CG 4.07Å; F131-L141 HydrophobicContact CG-CD2 3.56Å; F131-L141 HydrophobicContact CG-CG 4.03Å; F131-L141 HydrophobicContact CZ-CD2 4.28Å; F131-L141 HydrophobicContact CZ-CG 4.42Å; F131-E143 HydrophobicContact CE2-CG 4.35Å; F131-E143 HydrophobicContact CZ-CG 3.79Å; F131-E143 WeakPolarHBondContact CZ-OE1 3.44Å |
| 132 | A | 93.3 | Very high | 94.2 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | trans | -59.6 | 126.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P35 N128 P139 | P35-A132 HydrophobicContact CG-CB 3.85Å; N128-A132 PolarHBondContact O-N 2.91Å; A132-P139 HydrophobicContact CB-CG 4.49Å | ||
| 133 | S | 92.5 | Very high | 94 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -140.4 | 163.9 | 178.8 | 71.3 | 0 | 0 | 0 | 0 | 110.1 | F131 R135 N136 P137 | F131-S133 PolarHBondContact O-N 2.78Å; S133-R135 PolarHBondContact O-N 3.26Å; S133-R135 VanDerWaalsContact O-N 3.08Å; S133-R135 PolarHBondContact OG-N 2.79Å; S133-N136 PolarHBondContact N-O 3.25Å; S133-N136 CarbonylContact O-C 3.51Å; S133-N136 PolarHBondContact O-N 3.14Å; S133-N136 PolarHBondContact OG-N 3.37Å; S133-N136 VanDerWaalsContact OG-N 3.13Å; S133-P137 WeakPolarHBondContact O-CA 3.47Å; S133-P137 VanDerWaalsContact O-N 3.1Å |
| 134 | P | 92.4 | Very high | 94 | Very high | 138 Ų | 138 | 54.8 Ų | 54.8 | 90% | 0.896 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.4 | 175.6 | -26.6 | 35.5 | 0 | 0 | 0 | 114.1 | ||
| 135 | R | 92.5 | Very high | 94 | Very high | 245 Ų | 245 | 54.4 Ų | 54.4 | 93% | 0.925 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -25.3 | 177.5 | -67.6 | -178.1 | 179 | 166.2 | -0.4 | 113.2 | S133 | S133-R135 PolarHBondContact O-N 3.26Å; S133-R135 VanDerWaalsContact O-N 3.08Å; S133-R135 PolarHBondContact OG-N 2.79Å |
| 136 | N | 91.5 | Very high | 94 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -139.4 | 87 | 173.1 | -173.3 | 2.6 | 0 | 0 | 0 | 109.4 | S133 A138 P139 E397 | S133-N136 PolarHBondContact N-O 3.25Å; S133-N136 CarbonylContact O-C 3.51Å; S133-N136 PolarHBondContact O-N 3.14Å; S133-N136 PolarHBondContact OG-N 3.37Å; S133-N136 VanDerWaalsContact OG-N 3.13Å; N136-A138 VanDerWaalsContact C-N 3.3Å; N136-A138 PolarHBondContact O-N 2.73Å; N136-A138 PolarHBondContact OD1-N 3.05Å; N136-P139 WeakPolarHBondContact ND2-CA 3.28Å; N136-E397 PolarHBondContact ND2-OE1 3.44Å; N136-E397 PolarHBondContact ND2-OE2 2.9Å; N136-E397 VanDerWaalsContact ND2-OE2 3.15Å |
| 137 | P | 91.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 55.2 Ų | 55.2 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -74.8 | -20.4 | -175 | 28.7 | -34.6 | 0 | 0 | 0 | 113.2 | P35 S133 P139 | P35-P137 WeakPolarHBondContact CD-O 2.97Å; P35-P137 WeakPolarHBondContact CG-O 3.35Å; S133-P137 WeakPolarHBondContact O-CA 3.47Å; S133-P137 VanDerWaalsContact O-N 3.1Å; P137-P139 VanDerWaalsContact C-CD 3.48Å |
| 138 | A | 92.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 56 Ų | 56 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -130.7 | 64.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F24 N136 | F24-A138 HydrophobicContact CD1-CB 4.47Å; F24-A138 HydrophobicContact CE1-CB 3.88Å; N136-A138 VanDerWaalsContact C-N 3.3Å; N136-A138 PolarHBondContact O-N 2.73Å; N136-A138 PolarHBondContact OD1-N 3.05Å |
| 139 | P | 93.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -64.8 | 143 | -176.9 | 28.4 | -36.3 | 0 | 0 | 0 | 112.1 | N128 F131 A132 N136 P137 L141 | N128-P139 HydrophobicContact CB-CG 4.21Å; N128-P139 WeakPolarHBondContact CB-O 3.35Å; N128-P139 PolarHBondContact ND2-O 3.4Å; N128-P139 VanDerWaalsContact ND2-O 3.08Å; N128-P139 WeakPolarHBondContact O-CG 3.33Å; F131-P139 HydrophobicContact CB-CB 4Å; F131-P139 HydrophobicContact CB-CG 3.84Å; A132-P139 HydrophobicContact CB-CG 4.49Å; N136-P139 WeakPolarHBondContact ND2-CA 3.28Å; P137-P139 VanDerWaalsContact C-CD 3.48Å; P139-L141 VanDerWaalsContact C-N 3.28Å; P139-L141 HydrophobicContact CB-CB 4.44Å | ||
| 140 | E | 92.1 | Very high | 93.9 | Very high | 105 Ų | 105 | 61 Ų | 61 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | trans | -100.5 | 36.4 | 173.1 | -70.5 | -176 | -169.4 | 0 | 0 | 110.6 | F24 H395 E397 | F24-E140 HydrophobicContact CE2-CG 4.1Å; F24-E140 HydrophobicContact CZ-CG 3.7Å; E140-H395 WeakPolarHBondContact O-CB 3.15Å; E140-E397 PolarHBondContact N-OE2 2.63Å | ||
| 141 | L | 92.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -121.3 | 132.4 | -172.8 | 168.8 | 71.1 | 0 | 0 | 0 | 109.9 | N128 F131 P139 T398 | N128-L141 WeakPolarHBondContact CA-O 3.37Å; N128-L141 WeakPolarHBondContact CB-O 3.48Å; F131-L141 HydrophobicContact CB-CD2 4.1Å; F131-L141 HydrophobicContact CD1-CD2 3.55Å; F131-L141 HydrophobicContact CD1-CG 4.37Å; F131-L141 HydrophobicContact CD2-CB 4.39Å; F131-L141 HydrophobicContact CD2-CD2 3.93Å; F131-L141 HydrophobicContact CD2-CG 3.87Å; F131-L141 WeakPolarHBondContact CD2-O 3.4Å; F131-L141 HydrophobicContact CE1-CD2 3.95Å; F131-L141 HydrophobicContact CE2-CD2 4.27Å; F131-L141 HydrophobicContact CE2-CG 4.07Å; F131-L141 HydrophobicContact CG-CD2 3.56Å; F131-L141 HydrophobicContact CG-CG 4.03Å; F131-L141 HydrophobicContact CZ-CD2 4.28Å; F131-L141 HydrophobicContact CZ-CG 4.42Å; P139-L141 VanDerWaalsContact C-N 3.28Å; P139-L141 HydrophobicContact CB-CB 4.44Å; L141-T398 HydrophobicContact CD1-CG2 3.47Å; L141-T398 VanDerWaalsContact CD1-CG2 3.47Å; L141-T398 WeakPolarHBondContact CD1-OG1 3.1Å | ||
| 142 | A | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -137.9 | 158.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G20 V22 R126 | G20-A142 WeakPolarHBondContact O-CB 3.43Å; V22-A142 HydrophobicContact CG2-CB 3.66Å; R126-A142 CarbonylContact O-C 3.56Å; R126-A142 WeakPolarHBondContact O-CA 2.81Å | ||
| 143 | E | 94.3 | Very high | 94 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -100.2 | 139.3 | 171.9 | -72.8 | 170.5 | 178.5 | 0 | 0 | 109.5 | G20 G125 R126 F131 M390 R401 | G20-E143 WeakPolarHBondContact CA-O 3.46Å; G20-E143 PolarHBondContact N-O 3.42Å; G125-E143 CarbonylContact C-O 3.48Å; G125-E143 VanDerWaalsContact CA-O 3.28Å; G125-E143 WeakPolarHBondContact CA-O 3.27Å; R126-E143 IonicContact CZ-OE1 3.59Å; R126-E143 IonicContact CZ-OE2 3.19Å; R126-E143 IonicContact NE-OE1 2.77Å; R126-E143 IonicContact NE-OE2 3.03Å; R126-E143 PolarHBondContact NE-OE2 2.79Å; R126-E143 VanDerWaalsContact NH2-CD 3.33Å; R126-E143 IonicContact NH2-OE1 2.65Å; R126-E143 PolarHBondContact NH2-OE1 2.92Å; R126-E143 IonicContact NH2-OE2 2.69Å; R126-E143 PolarHBondContact NH2-OE2 3.41Å; R126-E143 PolarHBondContact O-N 2.66Å; F131-E143 HydrophobicContact CE2-CG 4.35Å; F131-E143 HydrophobicContact CZ-CG 3.79Å; F131-E143 WeakPolarHBondContact CZ-OE1 3.44Å; E143-M390 WeakPolarHBondContact CA-O 3.5Å; E143-R401 IonicContact OE1-CZ 2.67Å; E143-R401 VanDerWaalsContact OE1-CZ 3.26Å; E143-R401 IonicContact OE1-NH1 3.27Å; E143-R401 PolarHBondContact OE1-NH1 2.88Å; E143-R401 IonicContact OE1-NH2 3.51Å; E143-R401 PolarHBondContact OE1-NH2 3.41Å |
| 144 | N | 96.1 | Very high | 93.9 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 154.7 | 164.3 | -63.9 | -21.2 | 0 | 0 | 0 | 109.2 | D19 K389 M390 T391 | D19-N144 VanDerWaalsContact OD1-CA 3.24Å; D19-N144 WeakPolarHBondContact OD1-CA 3.47Å; D19-N144 WeakPolarHBondContact OD1-CB 3.23Å; N144-K389 WeakPolarHBondContact CB-O 3.33Å; N144-K389 PolarHBondContact ND2-O 2.76Å; N144-M390 PolarHBondContact N-O 3.38Å; N144-T391 PolarHBondContact ND2-O 3.5Å |
| 145 | G | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 143.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | K16 G17 G18 D19 | K16-G145 WeakPolarHBondContact CE-O 3.39Å; G17-G145 WeakPolarHBondContact O-CA 3.4Å; G18-G145 WeakPolarHBondContact O-CA 3.19Å; G18-G145 PolarHBondContact O-N 3.28Å; D19-G145 PolarHBondContact OD1-N 3.42Å |
| 146 | E | 96.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -62 | 138 | 178.7 | -170.1 | -179.7 | 153 | 0 | 0 | 110 | K16 G17 G122 R123 G148 K386 M390 | K16-E146 VanDerWaalsContact CG-O 3.32Å; K16-E146 WeakPolarHBondContact CG-O 3.18Å; G17-E146 PolarHBondContact N-O 3.11Å; G122-E146 WeakPolarHBondContact CA-O 3.34Å; R123-E146 HydrophobicContact CB-CB 4.22Å; R123-E146 VanDerWaalsContact CB-OE2 3.3Å; R123-E146 WeakPolarHBondContact CB-OE2 3.43Å; R123-E146 WeakPolarHBondContact O-CB 3.46Å; R123-E146 PolarHBondContact O-N 3.25Å; E146-G148 PolarHBondContact O-N 3.12Å; E146-K386 VanDerWaalsContact CD-NZ 3.32Å; E146-K386 VanDerWaalsContact CG-CE 3.49Å; E146-K386 HydrophobicContact CG-CG 4.45Å; E146-K386 WeakPolarHBondContact OE1-CE 3.3Å; E146-K386 IonicContact OE1-NZ 2.84Å; E146-K386 PolarHBondContact OE1-NZ 2.78Å; E146-K386 IonicContact OE2-NZ 3.26Å; E146-M390 HydrophobicContact CB-CE 3.99Å; E146-M390 HydrophobicContact CB-CG 4.4Å; E146-M390 HydrophobicContact CB-SD 3.93Å; E146-M390 HydrophobicContact CG-SD 3.94Å |
| 147 | P | 95.5 | Very high | 92.9 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -59.5 | 135.8 | 170.1 | 26.1 | -33.5 | 0 | 0 | 0 | 110.1 | K389 | P147-K389 HydrophobicContact CG-CD 4.16Š|
| 148 | G | 95.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 151 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G15 E146 | G15-G148 WeakPolarHBondContact O-CA 3.37Å; E146-G148 PolarHBondContact O-N 3.12Å |
| 149 | Q | 95 | Very high | 90.5 | Very high | 65 Ų | 65 | 33.1 Ų | 33.1 | 30% | 0.304 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 141.4 | 175.4 | -68.4 | -177.7 | -12.3 | 0 | 0 | 110.7 | A14 A119 H120 | A14-Q149 PolarHBondContact N-O 3.37Å; A119-Q149 HydrophobicContact CB-CB 4.1Å; H120-Q149 HydrophobicContact CB-CG 4.25Å; H120-Q149 PolarHBondContact CD2-OE1 2.91Å; H120-Q149 PolarHBondContact O-N 3.44Å |
| 150 | E | 95.1 | Very high | 89.2 | Confident | 107 Ų | 107 | 35.1 Ų | 35.1 | 50% | 0.5 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129 | 176.3 | -177 | 165.9 | -148 | 0 | 0 | 107.3 | V12 K13 | V12-E150 WeakPolarHBondContact O-CA 3.43Å; K13-E150 HydrophobicContact CB-CG 4.3Å; K13-E150 HydrophobicContact CG-CB 4.19Å; K13-E150 HydrophobicContact CG-CG 4.14Å; K13-E150 IonicContact NZ-OE1 2.67Å; K13-E150 PolarHBondContact NZ-OE1 3.37Å; K13-E150 IonicContact NZ-OE2 2.83Å; K13-E150 PolarHBondContact NZ-OE2 3.14Å |
| 151 | R | 93.2 | Very high | 88.5 | Confident | 61 Ų | 61 | 30.2 Ų | 30.2 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 152.8 | 178.5 | 60.3 | 179.7 | 84.6 | -174.9 | 10.1 | 110.6 | V12 V118 I153 | V12-R151 HydrophobicContact CG2-CG 3.63Å; V12-R151 VanDerWaalsContact CG2-O 3.24Å; V12-R151 WeakPolarHBondContact CG2-O 3.45Å; V12-R151 PolarHBondContact N-O 3.05Å; V12-R151 PolarHBondContact O-N 3.38Å; V118-R151 VanDerWaalsContact O-CD 3.25Å; V118-R151 WeakPolarHBondContact O-CD 3.37Å; V118-R151 PolarHBondContact O-NE 3.39Å; V118-R151 VanDerWaalsContact O-NE 3.1Å; R151-I153 HydrophobicContact CG-CG2 3.86Å |
| 152 | N | 95.8 | Very high | 87.9 | Confident | 60 Ų | 60 | 30.6 Ų | 30.6 | 32% | 0.321 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.3 | 165.3 | -64.9 | -58.2 | 0 | 0 | 0 | 108.1 | T9 I10 A100 | T9-N152 HydrophobicContact CG2-CB 4.23Å; I10-N152 WeakPolarHBondContact O-CA 3.49Å; A100-N152 HydrophobicContact CB-CB 3.77Å; A100-N152 WeakPolarHBondContact CB-O 3.23Å; A100-N152 PolarHBondContact N-O 2.98Å |
| 153 | I | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.2 | 173.7 | 63.8 | 178.2 | 0 | 0 | 0 | 110.6 | T9 I10 V12 L48 V97 R98 I106 V118 R151 L155 | T9-I153 CarbonylContact C-O 3.54Å; T9-I153 VanDerWaalsContact CA-O 3.32Å; T9-I153 WeakPolarHBondContact CA-O 3.35Å; I10-I153 HydrophobicContact CD1-CD1 3.93Å; I10-I153 HydrophobicContact CD1-CG1 4Å; I10-I153 HydrophobicContact CG1-CD1 3.97Å; I10-I153 HydrophobicContact CG1-CG1 3.44Å; I10-I153 VanDerWaalsContact CG1-CG1 3.44Å; I10-I153 PolarHBondContact N-O 3.09Å; I10-I153 PolarHBondContact O-N 3.45Å; V12-I153 HydrophobicContact CG1-CD1 3.71Å; V12-I153 HydrophobicContact CG1-CG1 4.04Å; V12-I153 HydrophobicContact CG2-CD1 4.19Å; V12-I153 HydrophobicContact CG2-CG1 4.29Å; V12-I153 HydrophobicContact CG2-CG2 4.03Å; L48-I153 HydrophobicContact CD1-CD1 4.15Å; V97-I153 HydrophobicContact CG1-CB 4.27Å; V97-I153 HydrophobicContact CG1-CD1 4.09Å; R98-I153 CarbonylContact O-C 3.54Å; R98-I153 VanDerWaalsContact O-CA 3.22Å; R98-I153 WeakPolarHBondContact O-CA 3.46Å; R98-I153 WeakPolarHBondContact O-CB 3.44Å; I106-I153 HydrophobicContact CD1-CG2 3.67Å; V118-I153 HydrophobicContact CB-CD1 3.89Å; V118-I153 HydrophobicContact CG1-CD1 3.87Å; V118-I153 HydrophobicContact CG2-CD1 3.93Å; R151-I153 HydrophobicContact CG-CG2 3.86Å; I153-L155 HydrophobicContact CD1-CD2 4.09Å; I153-L155 HydrophobicContact CG1-CD2 4.4Å |
| 154 | E | 91.3 | Very high | 87.4 | Confident | 46 Ų | 46 | 29.8 Ų | 29.8 | 22% | 0.215 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122 | 171.1 | 179 | 169 | -121.3 | 0 | 0 | 109.1 | Q7 V97 R98 A100 | Q7-E154 HydrophobicContact CG-CG 4.37Å; Q7-E154 PolarHBondContact NE2-OE1 3.29Å; V97-E154 WeakPolarHBondContact CA-O 3.38Å; R98-E154 HydrophobicContact CB-CB 4.43Å; R98-E154 PolarHBondContact N-O 3.03Å; R98-E154 PolarHBondContact O-N 3.49Å; A100-E154 HydrophobicContact CB-CB 4.43Å |
| 155 | L | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.8 | 171.8 | -54 | -177.9 | 0 | 0 | 0 | 108.1 | Q7 V8 I10 L48 L57 F60 V91 T95 T96 V97 I153 | Q7-L155 VanDerWaalsContact CA-O 3.31Å; Q7-L155 WeakPolarHBondContact CA-O 3.48Å; V8-L155 HydrophobicContact CG1-CB 3.97Å; V8-L155 HydrophobicContact CG1-CD1 4.18Å; V8-L155 HydrophobicContact CG1-CG 4.37Å; V8-L155 PolarHBondContact N-O 2.66Å; V8-L155 PolarHBondContact O-N 2.99Å; I10-L155 HydrophobicContact CD1-CD1 3.76Å; I10-L155 HydrophobicContact CD1-CG 4.29Å; I10-L155 HydrophobicContact CG1-CD1 4.3Å; I10-L155 HydrophobicContact CG1-CG 4.4Å; L48-L155 HydrophobicContact CD1-CD2 3.69Å; L57-L155 HydrophobicContact CD1-CB 3.82Å; L57-L155 HydrophobicContact CD2-CB 4.37Å; L57-L155 HydrophobicContact CD2-CD1 4.27Å; F60-L155 HydrophobicContact CD1-CD1 4.29Å; F60-L155 HydrophobicContact CD2-CD1 4.35Å; F60-L155 HydrophobicContact CE1-CD1 4.04Å; F60-L155 HydrophobicContact CE2-CD1 4.14Å; F60-L155 HydrophobicContact CG-CD1 4.42Å; F60-L155 HydrophobicContact CZ-CD1 3.97Å; V91-L155 HydrophobicContact CG1-CD1 4.1Å; T95-L155 HydrophobicContact CG2-CB 4.05Å; T95-L155 HydrophobicContact CG2-CD2 4.16Å; T96-L155 WeakPolarHBondContact O-CA 3.28Å; V97-L155 HydrophobicContact CB-CD2 4.34Å; V97-L155 HydrophobicContact CG1-CD2 3.97Å; V97-L155 HydrophobicContact CG2-CD2 3.85Å; I153-L155 HydrophobicContact CD1-CD2 4.09Å; I153-L155 HydrophobicContact CG1-CD2 4.4Å |
| 156 | E | 82.7 | Confident | 86.6 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115.9 | 173.9 | -176.7 | 173 | -145.7 | 0 | 0 | 109.3 | D6 T96 K158 K186 | D6-E156 CarbonylContact O-C 3.43Å; D6-E156 WeakPolarHBondContact O-CA 2.95Å; T96-E156 PolarHBondContact N-O 2.67Å; T96-E156 PolarHBondContact O-N 2.71Å; E156-K158 PolarHBondContact O-N 3Å; E156-K186 VanDerWaalsContact OE1-CD 3.24Å; E156-K186 WeakPolarHBondContact OE1-CD 3.26Å; E156-K186 IonicContact OE1-NZ 2.76Å; E156-K186 PolarHBondContact OE1-NZ 2.94Å |
| 157 | L | 81.1 | Confident | 86.2 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.7 | 177.5 | -178.8 | 60.9 | 0 | 0 | 0 | 110.3 | F4 D6 R55 L57 P92 P93 V159 | F4-L157 HydrophobicContact CE2-CD2 4.46Å; D6-L157 PolarHBondContact O-N 2.9Å; R55-L157 WeakPolarHBondContact O-CD2 3.43Å; L57-L157 HydrophobicContact CD1-CB 3.97Å; L57-L157 HydrophobicContact CG-CB 4.18Å; P92-L157 HydrophobicContact CB-CD1 3.77Å; P92-L157 HydrophobicContact CB-CD2 4.23Å; P92-L157 HydrophobicContact CG-CD1 4.36Å; P92-L157 HydrophobicContact CG-CD2 4.22Å; P93-L157 VanDerWaalsContact O-CD1 3.29Å; P93-L157 WeakPolarHBondContact O-CD1 3.26Å; L157-V159 HydrophobicContact CD2-CG2 3.65Å; L157-V159 HydrophobicContact CG-CG2 3.65Å; L157-V159 PolarHBondContact O-N 2.82Å |
| 158 | K | 70.4 | Confident | 85.7 | Confident | 46 Ų | 46 | 26.1 Ų | 26.1 | 20% | 0.2 | 13% | 0.128 | C | C | . | . | trans | -87 | 80.7 | 170.7 | -66.5 | 173.5 | 180 | 155.8 | 0 | 109.3 | G94 T96 D108 E156 L160 | G94-K158 PolarHBondContact O-N 3.11Å; T96-K158 WeakPolarHBondContact OG1-CE 3.5Å; T96-K158 PolarHBondContact OG1-NZ 2.75Å; D108-K158 IonicContact OD1-NZ 2.76Å; E156-K158 PolarHBondContact O-N 3Å; K158-L160 PolarHBondContact O-N 2.81Å | ||
| 159 | V | 64.4 | Low | 85.1 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 7% | 0.073 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 132.6 | -178.1 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | F4 L157 P185 M201 A211 | F4-V159 HydrophobicContact CE2-CG2 4.22Å; F4-V159 HydrophobicContact CZ-CG2 3.76Å; L157-V159 HydrophobicContact CD2-CG2 3.65Å; L157-V159 HydrophobicContact CG-CG2 3.65Å; L157-V159 PolarHBondContact O-N 2.82Å; V159-P185 HydrophobicContact CB-CB 4.4Å; V159-P185 HydrophobicContact CB-CG 4.45Å; V159-P185 HydrophobicContact CG2-CB 4.08Å; V159-M201 HydrophobicContact CG1-SD 4.17Å; V159-A211 HydrophobicContact CG1-CB 3.34Å |
| 160 | L | 66.2 | Low | 84.6 | Confident | 41 Ų | 41 | 28.4 Ų | 28.4 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -95 | 146.8 | 165.5 | -69.1 | 159 | 0 | 0 | 0 | 108.9 | K158 D162 Y190 A211 R238 | K158-L160 PolarHBondContact O-N 2.81Å; L160-D162 PolarHBondContact O-N 2.84Å; L160-Y190 HydrophobicContact CD2-CE2 4.28Å; L160-Y190 WeakPolarHBondContact CD2-OH 3.32Å; L160-A211 WeakPolarHBondContact O-CB 3.36Å; L160-R238 VanDerWaalsContact CD1-CD 3.4Å |
| 161 | A | 76.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 123.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V163 L199 A213 T239 | A161-V163 VanDerWaalsContact C-N 3.33Å; A161-L199 HydrophobicContact CB-CD2 3.79Å; A161-A213 HydrophobicContact CB-CB 3.47Å; A161-A213 VanDerWaalsContact CB-CB 3.47Å; A161-T239 HydrophobicContact CB-CG2 4.05Å; A161-T239 WeakPolarHBondContact O-CA 3.49Å |
| 162 | D | 81.2 | Confident | 84.1 | Confident | 16 Ų | 16 | 21 Ų | 21 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -72 | -33.6 | 168.5 | -59 | -66 | 0 | 0 | 0 | 110.9 | R55 L160 F210 A211 T239 R240 V241 L338 | R55-D162 IonicContact CZ-OD1 2.73Å; R55-D162 IonicContact NH1-OD1 2.69Å; R55-D162 PolarHBondContact NH1-OD1 2.81Å; L160-D162 PolarHBondContact O-N 2.84Å; D162-F210 HydrophobicContact CB-CB 4.17Å; D162-F210 WeakPolarHBondContact OD2-CA 3.37Å; D162-A211 WeakPolarHBondContact CB-O 3.14Å; D162-A211 PolarHBondContact N-O 3.19Å; D162-A211 PolarHBondContact OD2-N 3.46Å; D162-T239 CarbonylContact O-C 3.57Å; D162-T239 WeakPolarHBondContact O-CA 3.29Å; D162-R240 PolarHBondContact O-N 2.73Å; D162-V241 PolarHBondContact O-N 3.45Å; D162-L338 HydrophobicContact CB-CD1 4.12Å; D162-L338 HydrophobicContact CB-CD2 3.95Å |
| 163 | V | 88.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.1 | -172 | -177.9 | 0 | 0 | 0 | 0 | 111 | A161 F210 A211 A212 A213 V241 L243 T334 L338 | A161-V163 VanDerWaalsContact C-N 3.33Å; V163-F210 HydrophobicContact CB-CD2 4.26Å; V163-F210 HydrophobicContact CB-CE2 4.28Å; V163-F210 HydrophobicContact CG2-CD2 3.54Å; V163-F210 HydrophobicContact CG2-CE2 3.71Å; V163-F210 HydrophobicContact CG2-CG 4.42Å; V163-A211 PolarHBondContact N-O 3Å; V163-A212 HydrophobicContact CB-CB 4.25Å; V163-A212 CarbonylContact O-C 3.46Å; V163-A212 WeakPolarHBondContact O-CA 3.39Å; V163-A213 PolarHBondContact O-N 3.24Å; V163-V241 WeakPolarHBondContact CA-O 3.32Å; V163-V241 HydrophobicContact CG2-CB 4.46Å; V163-L243 HydrophobicContact CG1-CB 4.47Å; V163-L243 HydrophobicContact CG1-CD1 3.71Å; V163-L243 HydrophobicContact CG1-CD2 4.38Å; V163-L243 HydrophobicContact CG1-CG 3.51Å; V163-T334 HydrophobicContact CG1-CG2 4.21Å; V163-T334 HydrophobicContact CG2-CG2 3.7Å; V163-L338 HydrophobicContact CG2-CD1 3.7Å; V163-L338 HydrophobicContact CG2-CD2 4.15Å; V163-L338 HydrophobicContact CG2-CG 4.22Å |
| 164 | G | 88.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V241 I242 L243 | G164-V241 PolarHBondContact N-O 2.7Å; G164-I242 WeakPolarHBondContact O-CA 3.35Å; G164-L243 PolarHBondContact O-N 3.09Å |
| 165 | L | 89.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.6 | 169.8 | -65.2 | 89.5 | 0 | 0 | 0 | 110.1 | I176 L177 A212 A213 L215 L243 V245 | L165-I176 HydrophobicContact CD2-CB 4.14Å; L165-I176 HydrophobicContact CD2-CG2 3.83Å; L165-L177 HydrophobicContact CD1-CD1 4.3Å; L165-A212 HydrophobicContact CD1-CB 3.99Å; L165-A213 WeakPolarHBondContact CD1-O 3.21Å; L165-A213 PolarHBondContact N-O 2.88Å; L165-L215 PolarHBondContact O-N 3.47Å; L165-L243 WeakPolarHBondContact CA-O 3.44Å; L165-L243 HydrophobicContact CG-CB 4.32Å; L165-L243 HydrophobicContact CG-CD1 4.44Å; L165-V245 HydrophobicContact CB-CG2 4.42Å; L165-V245 HydrophobicContact CD2-CG2 4.16Å |
| 166 | V | 87 | Confident | 83.6 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.7 | 176.8 | -57 | 0 | 0 | 0 | 0 | 110.5 | L215 L218 I242 L243 H244 V245 I263 L267 | V166-L215 HydrophobicContact CG1-CD1 3.96Å; V166-L218 HydrophobicContact CG1-CD1 3.54Å; V166-I242 HydrophobicContact CB-CG2 4.34Å; V166-I242 HydrophobicContact CG1-CG2 3.94Å; V166-I242 HydrophobicContact CG2-CG2 3.44Å; V166-I242 VanDerWaalsContact CG2-CG2 3.44Å; V166-L243 PolarHBondContact N-O 3.19Å; V166-H244 HydrophobicContact CG2-CB 4.26Å; V166-V245 PolarHBondContact O-N 3.35Å; V166-I263 HydrophobicContact CB-CG2 4.45Å; V166-I263 HydrophobicContact CG2-CG2 4.08Å; V166-L267 HydrophobicContact CG1-CD2 4.49Å; V166-L267 HydrophobicContact CG2-CD1 4.45Å |
| 167 | G | 87.1 | Confident | 84 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | trans | 156.5 | 152.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K173 I219 V245 | G167-K173 VanDerWaalsContact O-CE 3.25Å; G167-K173 WeakPolarHBondContact O-CE 3.02Å; G167-I219 VanDerWaalsContact O-CD1 3.28Å; G167-I219 WeakPolarHBondContact O-CD1 3.42Å; G167-V245 WeakPolarHBondContact CA-O 3.35Å | ||
| 168 | F | 85.6 | Confident | 84.5 | Confident | 39 Ų | 39 | 24.6 Ų | 24.6 | 17% | 0.171 | 15% | 0.152 | C | C | . | . | trans | -60.2 | 165.9 | 176.5 | -84 | -80.7 | 0 | 0 | 0 | 112.5 | V171 I219 D259 A262 I263 | F168-V171 HydrophobicContact CB-CG1 3.83Å; F168-V171 WeakPolarHBondContact O-CG1 3.37Å; F168-V171 WeakPolarHBondContact O-CG2 3.26Å; F168-V171 PolarHBondContact O-N 2.99Å; F168-I219 HydrophobicContact CD1-CG2 3.37Å; F168-I219 HydrophobicContact CE1-CG2 3.24Å; F168-I219 HydrophobicContact CE2-CG2 4.49Å; F168-I219 HydrophobicContact CG-CG2 4.08Å; F168-I219 HydrophobicContact CZ-CG2 3.85Å; F168-D259 HydrophobicContact CD2-CB 3.83Å; F168-D259 HydrophobicContact CE2-CB 3.83Å; F168-A262 HydrophobicContact CE2-CB 4.16Å; F168-A262 HydrophobicContact CZ-CB 3.96Å; F168-I263 HydrophobicContact CD2-CD1 3.66Å; F168-I263 HydrophobicContact CD2-CG1 3.97Å; F168-I263 HydrophobicContact CE2-CD1 3.89Å; F168-I263 HydrophobicContact CE2-CG1 3.69Å; F168-I263 HydrophobicContact CZ-CG1 4.47Å | ||
| 169 | P | 82.7 | Confident | 85.4 | Confident | 50 Ų | 50 | 24.4 Ų | 24.4 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 148.9 | 167.7 | -26.4 | 36 | 0 | 0 | 0 | 111.9 | V171 E220 R254 | P169-V171 PolarHBondContact O-N 3.26Å; P169-E220 HydrophobicContact CG-CG 3.88Å; P169-R254 PolarHBondContact O-NH2 3.02Å |
| 170 | S | 84.6 | Confident | 86.7 | Confident | 79 Ų | 79 | 24.6 Ų | 24.6 | 55% | 0.552 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 3.7 | 175.2 | -50 | 0 | 0 | 0 | 0 | 116.6 | G172 E252 K285 | S170-G172 PolarHBondContact O-N 3.46Å; S170-E252 WeakPolarHBondContact CB-OE1 3.24Å; S170-E252 PolarHBondContact OG-OE1 3.19Å; S170-K285 WeakPolarHBondContact O-CE 3.47Å; S170-K285 PolarHBondContact O-NZ 2.89Å |
| 171 | V | 89 | Confident | 87.8 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -69.8 | -15.6 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 113 | F168 P169 K173 V245 D247 N284 | F168-V171 HydrophobicContact CB-CG1 3.83Å; F168-V171 WeakPolarHBondContact O-CG1 3.37Å; F168-V171 WeakPolarHBondContact O-CG2 3.26Å; F168-V171 PolarHBondContact O-N 2.99Å; P169-V171 PolarHBondContact O-N 3.26Å; V171-K173 HydrophobicContact CG2-CG 3.73Å; V171-V245 HydrophobicContact CB-CG1 4.23Å; V171-V245 HydrophobicContact CG2-CB 3.97Å; V171-V245 HydrophobicContact CG2-CG1 3.75Å; V171-D247 HydrophobicContact CB-CB 4.25Å; V171-D247 HydrophobicContact CG1-CB 4.04Å; V171-N284 PolarHBondContact O-ND2 3.45Å |
| 172 | G | 89.5 | Confident | 88.1 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 105.1 | 17.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S170 S174 T175 I176 | S170-G172 PolarHBondContact O-N 3.46Å; G172-S174 PolarHBondContact O-N 2.93Å; G172-T175 WeakPolarHBondContact O-CB 3.08Å; G172-T175 PolarHBondContact O-N 3.2Å; G172-I176 VanDerWaalsContact O-CG1 3.3Å; G172-I176 WeakPolarHBondContact O-CG1 3.29Å; G172-I176 PolarHBondContact O-N 3.38Å |
| 173 | K | 89.4 | Confident | 87.9 | Confident | 14 Ų | 14 | 26.5 Ų | 26.5 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50.3 | -57.7 | 177.4 | -62 | -173.1 | -69.2 | 136.7 | 0 | 113 | G167 V171 T175 I176 L177 D214 L215 V245 | G167-K173 VanDerWaalsContact O-CE 3.25Å; G167-K173 WeakPolarHBondContact O-CE 3.02Å; V171-K173 HydrophobicContact CG2-CG 3.73Å; K173-T175 VanDerWaalsContact C-N 3.26Å; K173-T175 PolarHBondContact O-N 2.82Å; K173-I176 PolarHBondContact O-N 2.92Å; K173-L177 PolarHBondContact O-N 2.93Å; K173-D214 WeakPolarHBondContact CB-OD1 3.38Å; K173-D214 WeakPolarHBondContact CE-OD1 3.48Å; K173-D214 IonicContact NZ-OD1 3.37Å; K173-D214 PolarHBondContact NZ-OD1 2.96Å; K173-L215 PolarHBondContact NZ-O 2.95Å; K173-V245 HydrophobicContact CG-CB 4.17Å; K173-V245 HydrophobicContact CG-CG2 4.2Å |
| 174 | S | 88.2 | Confident | 87.3 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.6 | -32.9 | -178.8 | -36.2 | 0 | 0 | 0 | 0 | 111.9 | G172 S178 D214 | G172-S174 PolarHBondContact O-N 2.93Å; S174-S178 VanDerWaalsContact O-CB 3.27Å; S174-S178 WeakPolarHBondContact O-CB 3.49Å; S174-S178 PolarHBondContact O-N 3.32Å; S174-S178 PolarHBondContact O-OG 3.19Å; S174-D214 WeakPolarHBondContact CA-OD2 3.4Å; S174-D214 WeakPolarHBondContact CB-OD2 3.24Å; S174-D214 PolarHBondContact N-OD2 3.29Å; S174-D214 PolarHBondContact OG-OD2 2.98Å |
| 175 | T | 90.6 | Very high | 86.2 | Confident | 61 Ų | 61 | 36 Ų | 36 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65 | -49 | 174.1 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | G172 K173 L177 S178 V179 A321 | G172-T175 WeakPolarHBondContact O-CB 3.08Å; G172-T175 PolarHBondContact O-N 3.2Å; K173-T175 VanDerWaalsContact C-N 3.26Å; K173-T175 PolarHBondContact O-N 2.82Å; T175-L177 PolarHBondContact O-N 2.79Å; T175-S178 PolarHBondContact O-N 3.47Å; T175-S178 PolarHBondContact O-OG 2.58Å; T175-V179 VanDerWaalsContact O-CG2 3.28Å; T175-V179 WeakPolarHBondContact O-CG2 3.35Å; T175-V179 PolarHBondContact O-N 3.24Å; T175-V179 VanDerWaalsContact O-N 3.08Å; T175-A321 HydrophobicContact CG2-CB 4.02Å |
| 176 | I | 93.7 | Very high | 85 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.7 | -54.9 | 175.6 | -68.8 | 162.7 | 0 | 0 | 0 | 109.4 | L165 G172 K173 S178 V179 I180 V245 V282 N284 I319 A321 | L165-I176 HydrophobicContact CD2-CB 4.14Å; L165-I176 HydrophobicContact CD2-CG2 3.83Å; G172-I176 VanDerWaalsContact O-CG1 3.3Å; G172-I176 WeakPolarHBondContact O-CG1 3.29Å; G172-I176 PolarHBondContact O-N 3.38Å; K173-I176 PolarHBondContact O-N 2.92Å; I176-S178 VanDerWaalsContact C-N 3.28Å; I176-S178 PolarHBondContact O-N 3.36Å; I176-V179 PolarHBondContact O-N 2.61Å; I176-I180 HydrophobicContact CG2-CD1 4.02Å; I176-I180 HydrophobicContact CG2-CG2 4.3Å; I176-I180 WeakPolarHBondContact O-CG1 3.24Å; I176-I180 PolarHBondContact O-N 3.04Å; I176-V245 HydrophobicContact CD1-CB 4.35Å; I176-V245 HydrophobicContact CD1-CG1 3.46Å; I176-V245 VanDerWaalsContact CD1-CG1 3.46Å; I176-V245 HydrophobicContact CD1-CG2 3.87Å; I176-V282 HydrophobicContact CD1-CG1 4.19Å; I176-N284 HydrophobicContact CD1-CB 4.37Å; I176-I319 HydrophobicContact CD1-CD1 3.84Å; I176-I319 HydrophobicContact CG1-CD1 3.97Å; I176-A321 HydrophobicContact CG1-CB 3.61Å |
| 177 | L | 91.3 | Very high | 83.9 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.9 | -45.2 | -179.7 | -174.6 | 68.4 | 0 | 0 | 0 | 111.6 | L165 K173 T175 V179 I180 S181 N198 A212 D214 | L165-L177 HydrophobicContact CD1-CD1 4.3Å; K173-L177 PolarHBondContact O-N 2.93Å; T175-L177 PolarHBondContact O-N 2.79Å; L177-V179 PolarHBondContact O-N 2.91Å; L177-I180 PolarHBondContact O-N 3.45Å; L177-S181 WeakPolarHBondContact O-CB 3.44Å; L177-S181 PolarHBondContact O-N 2.99Å; L177-N198 HydrophobicContact CD2-CB 3.83Å; L177-N198 WeakPolarHBondContact CD2-O 3.44Å; L177-A212 HydrophobicContact CD1-CB 3.81Å; L177-A212 WeakPolarHBondContact CD1-O 3.5Å; L177-D214 HydrophobicContact CD2-CB 3.75Å |
| 178 | S | 90.3 | Very high | 82.4 | Confident | 60 Ų | 60 | 42.8 Ų | 42.8 | 42% | 0.42 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -28.4 | 179.2 | 75.2 | 0 | 0 | 0 | 0 | 114 | S174 T175 I176 | S174-S178 VanDerWaalsContact O-CB 3.27Å; S174-S178 WeakPolarHBondContact O-CB 3.49Å; S174-S178 PolarHBondContact O-N 3.32Å; S174-S178 PolarHBondContact O-OG 3.19Å; T175-S178 PolarHBondContact O-N 3.47Å; T175-S178 PolarHBondContact O-OG 2.58Å; I176-S178 VanDerWaalsContact C-N 3.28Å; I176-S178 PolarHBondContact O-N 3.36Å |
| 179 | V | 91.2 | Very high | 80.7 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -87.1 | -36.7 | -177.5 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | T175 I176 L177 K324 L327 | T175-V179 VanDerWaalsContact O-CG2 3.28Å; T175-V179 WeakPolarHBondContact O-CG2 3.35Å; T175-V179 PolarHBondContact O-N 3.24Å; T175-V179 VanDerWaalsContact O-N 3.08Å; I176-V179 PolarHBondContact O-N 2.61Å; L177-V179 PolarHBondContact O-N 2.91Å; V179-K324 HydrophobicContact CG1-CD 4.02Å; V179-K324 HydrophobicContact CG1-CG 3.86Å; V179-L327 HydrophobicContact CG1-CD1 3.52Å |
| 180 | I | 91.1 | Very high | 79.2 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -86.5 | -17.3 | -179.3 | 69.6 | 177.8 | 0 | 0 | 0 | 113.2 | I176 L177 S182 V202 L327 L331 | I176-I180 HydrophobicContact CG2-CD1 4.02Å; I176-I180 HydrophobicContact CG2-CG2 4.3Å; I176-I180 WeakPolarHBondContact O-CG1 3.24Å; I176-I180 PolarHBondContact O-N 3.04Å; L177-I180 PolarHBondContact O-N 3.45Å; I180-S182 PolarHBondContact O-N 3.36Å; I180-V202 HydrophobicContact CB-CG1 4.49Å; I180-V202 HydrophobicContact CB-CG2 4.45Å; I180-V202 HydrophobicContact CD1-CG2 3.76Å; I180-V202 HydrophobicContact CG1-CG2 3.86Å; I180-L327 HydrophobicContact CG2-CD1 4.3Å; I180-L327 HydrophobicContact CG2-CD2 4.08Å; I180-L331 HydrophobicContact CB-CD1 4.21Å; I180-L331 HydrophobicContact CB-CD2 4.21Å; I180-L331 HydrophobicContact CD1-CD2 4.06Å; I180-L331 HydrophobicContact CG2-CD1 4.2Å; I180-L331 HydrophobicContact CG2-CD2 4.06Å |
| 181 | S | 89 | Confident | 77 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 120 | -177.6 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | L177 A183 G200 M201 | L177-S181 WeakPolarHBondContact O-CB 3.44Å; L177-S181 PolarHBondContact O-N 2.99Å; S181-A183 PolarHBondContact OG-O 2.69Å; S181-G200 WeakPolarHBondContact OG-CA 3.24Å; S181-M201 CarbonylContact C-O 3.53Å; S181-M201 VanDerWaalsContact CA-O 3.23Å; S181-M201 WeakPolarHBondContact CA-O 3.37Å |
| 182 | S | 82.9 | Confident | 75.1 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -27.3 | 170.5 | 65 | 0 | 0 | 0 | 0 | 112.7 | I180 M201 T203 | I180-S182 PolarHBondContact O-N 3.36Å; S182-M201 PolarHBondContact N-O 2.93Å; S182-M201 PolarHBondContact OG-O 3.1Å; S182-M201 VanDerWaalsContact OG-O 3.11Å; S182-T203 PolarHBondContact OG-OG1 2.96Å |
| 183 | A | 76.7 | Confident | 72.9 | Confident | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 158.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F4 S181 P185 G200 M201 | F4-A183 HydrophobicContact CB-CB 3.88Å; F4-A183 HydrophobicContact CD1-CB 3.87Å; F4-A183 HydrophobicContact CG-CB 4.18Å; S181-A183 PolarHBondContact OG-O 2.69Å; A183-P185 WeakPolarHBondContact O-CD 3.16Å; A183-G200 WeakPolarHBondContact O-CA 3.32Å; A183-M201 HydrophobicContact CB-CB 4.29Å; A183-M201 HydrophobicContact CB-CG 4.45Å; A183-M201 PolarHBondContact O-N 3.29Å |
| 184 | R | 75.6 | Confident | 70.9 | Confident | 191 Ų | 191 | 59.1 Ų | 59.1 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | trans | -111.5 | 94.1 | 175.2 | -66.5 | -172.8 | -178.5 | -172.1 | -0.3 | 109.6 | ||||
| 185 | P | 65.2 | Low | 69.4 | Low | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 155.3 | -177.3 | 28.7 | -32.6 | 0 | 0 | 0 | 111.1 | F4 V159 A183 L199 M201 | F4-P185 HydrophobicContact CE1-CB 3.58Å; F4-P185 HydrophobicContact CZ-CB 3.74Å; V159-P185 HydrophobicContact CB-CB 4.4Å; V159-P185 HydrophobicContact CB-CG 4.45Å; V159-P185 HydrophobicContact CG2-CB 4.08Å; A183-P185 WeakPolarHBondContact O-CD 3.16Å; P185-L199 HydrophobicContact CG-CB 3.77Å; P185-L199 HydrophobicContact CG-CD1 4.11Å; P185-M201 HydrophobicContact CG-CG 4.05Å; P185-M201 HydrophobicContact CG-SD 4.15Å |
| 186 | K | 64.5 | Low | 68.1 | Low | 98 Ų | 98 | 61.8 Ų | 61.8 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 143.9 | 169 | -71.1 | 176 | 178.7 | 171 | 0 | 111.1 | D6 E156 | D6-K186 PolarHBondContact OD2-N 3.21Å; E156-K186 VanDerWaalsContact OE1-CD 3.24Å; E156-K186 WeakPolarHBondContact OE1-CD 3.26Å; E156-K186 IonicContact OE1-NZ 2.76Å; E156-K186 PolarHBondContact OE1-NZ 2.94Å |
| 187 | I | 63.3 | Low | 66.9 | Low | 42 Ų | 42 | 61.9 Ų | 61.9 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 133.6 | 174.9 | -66.8 | 153.1 | 0 | 0 | 0 | 107.6 | A189 V196 P197 L199 | I187-A189 PolarHBondContact O-N 3.44Å; I187-V196 HydrophobicContact CB-CG1 4.16Å; I187-V196 HydrophobicContact CD1-CG1 3.24Å; I187-V196 HydrophobicContact CG1-CG1 4.28Å; I187-V196 HydrophobicContact CG2-CG1 4.37Å; I187-P197 HydrophobicContact CD1-CG 4.14Å; I187-P197 WeakPolarHBondContact CD1-O 3.43Å; I187-L199 HydrophobicContact CD1-CB 4.46Å; I187-L199 HydrophobicContact CD1-CD1 4.19Å; I187-L199 HydrophobicContact CD1-CG 3.97Å; I187-L199 HydrophobicContact CG1-CB 4.4Å; I187-L199 HydrophobicContact CG1-CD1 3.38Å; I187-L199 HydrophobicContact CG1-CG 3.72Å |
| 188 | G | 55.4 | Low | 66.3 | Low | 6 Ų | 6 | 65.8 Ų | 65.8 | 6% | 0.062 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 138.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y190 | G188-Y190 WeakPolarHBondContact O-CD2 3.27Å; G188-Y190 PolarHBondContact O-N 3.37Å |
| 189 | A | 50.3 | Low | 65.8 | Low | 91 Ų | 91 | 63.3 Ų | 63.3 | 75% | 0.752 | 34% | 0.343 | S | S | * | . | trans | -69.3 | 72.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | I187 H191 | I187-A189 PolarHBondContact O-N 3.44Å; A189-H191 PolarHBondContact O-N 3.35Å | ||
| 190 | Y | 50.8 | Low | 65.6 | Low | 48 Ų | 48 | 61.3 Ų | 61.3 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | trans | -71.2 | 120.4 | 177 | -69.6 | -69.6 | 0 | 0 | 0 | 108.1 | L160 G188 F192 T193 | L160-Y190 HydrophobicContact CD2-CE2 4.28Å; L160-Y190 WeakPolarHBondContact CD2-OH 3.32Å; G188-Y190 WeakPolarHBondContact O-CD2 3.27Å; G188-Y190 PolarHBondContact O-N 3.37Å; Y190-F192 VanDerWaalsContact CB-CE1 3.48Å; Y190-F192 VanDerWaalsContact CB-CZ 3.46Å; Y190-F192 HydrophobicContact CD1-CD1 4.28Å; Y190-F192 AromaticContact CD1-CE1 3.33Å; Y190-F192 HydrophobicContact CD1-CE1 3.33Å; Y190-F192 AromaticContact CD1-CZ 3.48Å; Y190-F192 HydrophobicContact CD1-CZ 3.48Å; Y190-F192 VanDerWaalsContact CD1-CZ 3.48Å; Y190-F192 HydrophobicContact CD2-CZ 4.17Å; Y190-F192 HydrophobicContact CE1-CE1 4.26Å; Y190-F192 HydrophobicContact CE1-CZ 4.26Å; Y190-F192 HydrophobicContact CG-CD1 4.38Å; Y190-F192 AromaticContact CG-CE1 3.61Å; Y190-F192 HydrophobicContact CG-CE1 3.61Å; Y190-F192 HydrophobicContact CG-CE2 4.09Å; Y190-F192 AromaticContact CG-CZ 3.42Å; Y190-F192 HydrophobicContact CG-CZ 3.42Å; Y190-F192 VanDerWaalsContact CG-CZ 3.42Å; Y190-F192 PolarHBondContact O-N 3.03Å; Y190-T193 PolarHBondContact O-N 3.36Å | ||
| 191 | H | 39.8 | Very low | 65.3 | Low | 195 Ų | 195 | 60.8 Ų | 60.8 | 90% | 0.903 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 0.9 | 179.6 | -67.6 | -59.9 | 0 | 0 | 0 | 114.7 | A189 | A189-H191 PolarHBondContact O-N 3.35Š|
| 192 | F | 47.8 | Very low | 65.3 | Low | 25 Ų | 25 | 59.6 Ų | 59.6 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -2.8 | -174.2 | 61.5 | -113.6 | 0 | 0 | 0 | 113.7 | Y190 Q231 R234 H235 | Y190-F192 VanDerWaalsContact CB-CE1 3.48Å; Y190-F192 VanDerWaalsContact CB-CZ 3.46Å; Y190-F192 HydrophobicContact CD1-CD1 4.28Å; Y190-F192 AromaticContact CD1-CE1 3.33Å; Y190-F192 HydrophobicContact CD1-CE1 3.33Å; Y190-F192 AromaticContact CD1-CZ 3.48Å; Y190-F192 HydrophobicContact CD1-CZ 3.48Å; Y190-F192 VanDerWaalsContact CD1-CZ 3.48Å; Y190-F192 HydrophobicContact CD2-CZ 4.17Å; Y190-F192 HydrophobicContact CE1-CE1 4.26Å; Y190-F192 HydrophobicContact CE1-CZ 4.26Å; Y190-F192 HydrophobicContact CG-CD1 4.38Å; Y190-F192 AromaticContact CG-CE1 3.61Å; Y190-F192 HydrophobicContact CG-CE1 3.61Å; Y190-F192 HydrophobicContact CG-CE2 4.09Å; Y190-F192 AromaticContact CG-CZ 3.42Å; Y190-F192 HydrophobicContact CG-CZ 3.42Å; Y190-F192 VanDerWaalsContact CG-CZ 3.42Å; Y190-F192 PolarHBondContact O-N 3.03Å; F192-Q231 HydrophobicContact CB-CB 3.96Å; F192-Q231 HydrophobicContact CB-CG 4.46Å; F192-Q231 WeakPolarHBondContact CD2-O 3.47Å; F192-Q231 CarbonylContact O-C 3.6Å; F192-Q231 WeakPolarHBondContact O-CB 3.31Å; F192-Q231 PolarHBondContact O-OE1 3.05Å; F192-Q231 VanDerWaalsContact O-OE1 3.05Å; F192-R234 VanDerWaalsContact CD1-NH1 3.35Å; F192-R234 HydrophobicContact CD2-CB 4.12Å; F192-R234 HydrophobicContact CE2-CB 3.84Å; F192-R234 HydrophobicContact CZ-CB 4.21Å; F192-H235 HydrophobicContact CE2-CB 4.48Å |
| 193 | T | 42.9 | Very low | 65.6 | Low | 37 Ų | 37 | 58.9 Ų | 58.9 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | trans | -131.2 | 143 | 173.7 | 79 | 0 | 0 | 0 | 0 | 113.1 | Y190 L195 F232 | Y190-T193 PolarHBondContact O-N 3.36Å; T193-L195 WeakPolarHBondContact CB-O 3.18Å; T193-L195 PolarHBondContact OG1-O 3.37Å; T193-F232 HydrophobicContact CG2-CB 4.49Å; T193-F232 HydrophobicContact CG2-CD2 4.47Å | ||
| 194 | T | 48.4 | Very low | 66.2 | Low | 143 Ų | 143 | 58.3 Ų | 58.3 | 88% | 0.877 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -94.3 | -23.8 | 164.5 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 195 | L | 56.8 | Low | 66.8 | Low | 87 Ų | 87 | 53.4 Ų | 53.4 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -93.4 | 122.8 | 175.1 | -65.5 | 174.9 | 0 | 0 | 0 | 109.5 | T193 L228 F232 | T193-L195 WeakPolarHBondContact CB-O 3.18Å; T193-L195 PolarHBondContact OG1-O 3.37Å; L195-L228 HydrophobicContact CD1-CD2 4.44Å; L195-F232 HydrophobicContact CB-CD2 4.26Å; L195-F232 HydrophobicContact CB-CE2 4.31Å |
| 196 | V | 62.7 | Low | 67.8 | Low | 98 Ų | 98 | 57.3 Ų | 57.3 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | trans | -90.3 | 115.2 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | I187 | I187-V196 HydrophobicContact CB-CG1 4.16Å; I187-V196 HydrophobicContact CD1-CG1 3.24Å; I187-V196 HydrophobicContact CG1-CG1 4.28Å; I187-V196 HydrophobicContact CG2-CG1 4.37Å | ||
| 197 | P | 69 | Low | 68.7 | Low | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.019 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 160.2 | 175.3 | 26.2 | -32.9 | 0 | 0 | 0 | 110.4 | I187 | I187-P197 HydrophobicContact CD1-CG 4.14Å; I187-P197 WeakPolarHBondContact CD1-O 3.43Å |
| 198 | N | 78 | Confident | 69.8 | Low | 90 Ų | 90 | 55.7 Ų | 55.7 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117 | 168.7 | -67.7 | -56.6 | 0 | 0 | 0 | 108 | L177 A213 D214 | L177-N198 HydrophobicContact CD2-CB 3.83Å; L177-N198 WeakPolarHBondContact CD2-O 3.44Å; N198-A213 WeakPolarHBondContact O-CA 3.49Å; N198-D214 HydrophobicContact CB-CB 4.26Å; N198-D214 PolarHBondContact O-N 3.47Å |
| 199 | L | 80.7 | Confident | 71.3 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 146.9 | 173.2 | -70.7 | -177.9 | 0 | 0 | 0 | 111.7 | A161 P185 I187 A212 A213 | A161-L199 HydrophobicContact CB-CD2 3.79Å; P185-L199 HydrophobicContact CG-CB 3.77Å; P185-L199 HydrophobicContact CG-CD1 4.11Å; I187-L199 HydrophobicContact CD1-CB 4.46Å; I187-L199 HydrophobicContact CD1-CD1 4.19Å; I187-L199 HydrophobicContact CD1-CG 3.97Å; I187-L199 HydrophobicContact CG1-CB 4.4Å; I187-L199 HydrophobicContact CG1-CD1 3.38Å; I187-L199 HydrophobicContact CG1-CG 3.72Å; L199-A212 CarbonylContact C-O 3.51Å; L199-A212 WeakPolarHBondContact CA-O 3.31Å; L199-A213 HydrophobicContact CD2-CB 3.68Å |
| 200 | G | 86.7 | Confident | 73 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 132.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S181 A183 A212 | S181-G200 WeakPolarHBondContact OG-CA 3.24Å; A183-G200 WeakPolarHBondContact O-CA 3.32Å; G200-A212 PolarHBondContact N-O 2.83Å; G200-A212 PolarHBondContact O-N 2.83Å |
| 201 | M | 85 | Confident | 74.6 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127.6 | 167.6 | -67.2 | -54.3 | -60.1 | 0 | 0 | 109.2 | F4 V159 S181 S182 A183 P185 A211 | F4-M201 HydrophobicContact CB-CG 4.48Å; F4-M201 HydrophobicContact CD1-CG 3.98Å; F4-M201 HydrophobicContact CD2-CB 4.44Å; F4-M201 HydrophobicContact CD2-CE 3.8Å; F4-M201 HydrophobicContact CD2-CG 3.57Å; F4-M201 HydrophobicContact CD2-SD 4.05Å; F4-M201 HydrophobicContact CE1-CG 4.05Å; F4-M201 HydrophobicContact CE2-CE 3.73Å; F4-M201 HydrophobicContact CE2-CG 3.68Å; F4-M201 HydrophobicContact CE2-SD 3.67Å; F4-M201 HydrophobicContact CG-CB 4.45Å; F4-M201 HydrophobicContact CG-CG 3.74Å; F4-M201 HydrophobicContact CZ-CG 3.93Å; F4-M201 HydrophobicContact CZ-SD 4.07Å; V159-M201 HydrophobicContact CG1-SD 4.17Å; S181-M201 CarbonylContact C-O 3.53Å; S181-M201 VanDerWaalsContact CA-O 3.23Å; S181-M201 WeakPolarHBondContact CA-O 3.37Å; S182-M201 PolarHBondContact N-O 2.93Å; S182-M201 PolarHBondContact OG-O 3.1Å; S182-M201 VanDerWaalsContact OG-O 3.11Å; A183-M201 HydrophobicContact CB-CB 4.29Å; A183-M201 HydrophobicContact CB-CG 4.45Å; A183-M201 PolarHBondContact O-N 3.29Å; P185-M201 HydrophobicContact CG-CG 4.05Å; P185-M201 HydrophobicContact CG-SD 4.15Å; M201-A211 HydrophobicContact SD-CB 3.87Å |
| 202 | V | 89.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.8 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | I180 S209 F210 A212 L331 | I180-V202 HydrophobicContact CB-CG1 4.49Å; I180-V202 HydrophobicContact CB-CG2 4.45Å; I180-V202 HydrophobicContact CD1-CG2 3.76Å; I180-V202 HydrophobicContact CG1-CG2 3.86Å; V202-S209 WeakPolarHBondContact O-CA 3.39Å; V202-F210 HydrophobicContact CB-CD1 4.35Å; V202-F210 HydrophobicContact CB-CD2 3.99Å; V202-F210 HydrophobicContact CB-CE1 4.02Å; V202-F210 HydrophobicContact CB-CE2 3.63Å; V202-F210 HydrophobicContact CB-CG 4.35Å; V202-F210 HydrophobicContact CB-CZ 3.66Å; V202-F210 HydrophobicContact CG1-CE1 3.84Å; V202-F210 HydrophobicContact CG1-CE2 4Å; V202-F210 HydrophobicContact CG1-CZ 3.51Å; V202-F210 HydrophobicContact CG2-CD2 4.19Å; V202-F210 HydrophobicContact CG2-CE2 3.69Å; V202-F210 HydrophobicContact CG2-CZ 4.1Å; V202-F210 PolarHBondContact N-O 3.35Å; V202-F210 PolarHBondContact O-N 2.97Å; V202-F210 VanDerWaalsContact O-N 3.1Å; V202-A212 HydrophobicContact CG2-CB 3.83Å; V202-L331 HydrophobicContact CG1-CD1 3.68Å; V202-L331 HydrophobicContact CG1-CD2 3.75Å; V202-L331 HydrophobicContact CG1-CG 4.16Å |
| 203 | T | 88.6 | Confident | 78.7 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.7 | 171.9 | -50.3 | 0 | 0 | 0 | 0 | 108 | M3 S182 R208 | M3-T203 HydrophobicContact SD-CG2 4.13Å; S182-T203 PolarHBondContact OG-OG1 2.96Å; T203-R208 WeakPolarHBondContact CA-O 3.29Å |
| 204 | T | 89.7 | Confident | 80.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | trans | -75.2 | 164.5 | 176.7 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | D206 G207 R208 F210 L331 N332 A335 | T204-D206 VanDerWaalsContact CB-OD1 3.26Å; T204-D206 WeakPolarHBondContact CB-OD1 3.28Å; T204-D206 PolarHBondContact O-N 2.67Å; T204-D206 PolarHBondContact OG1-OD1 2.89Å; T204-G207 PolarHBondContact O-N 3.03Å; T204-G207 VanDerWaalsContact O-N 3.09Å; T204-R208 PolarHBondContact N-O 3.42Å; T204-R208 WeakPolarHBondContact OG1-CA 3.29Å; T204-R208 VanDerWaalsContact OG1-CB 3.32Å; T204-R208 WeakPolarHBondContact OG1-CB 3.22Å; T204-R208 PolarHBondContact OG1-N 3.49Å; T204-R208 PolarHBondContact OG1-O 3.25Å; T204-F210 HydrophobicContact CG2-CE1 4.01Å; T204-L331 HydrophobicContact CG2-CB 4.17Å; T204-N332 WeakPolarHBondContact CB-OD1 3.5Å; T204-A335 HydrophobicContact CG2-CB 3.74Å | ||
| 205 | S | 87 | Confident | 81.6 | Confident | 89 Ų | 89 | 32.5 Ų | 32.5 | 62% | 0.622 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.6 | 178.9 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | N332 | S205-N332 PolarHBondContact OG-ND2 2.85Å; S205-N332 PolarHBondContact OG-OD1 3.17Å |
| 206 | D | 86.6 | Confident | 81.8 | Confident | 90 Ų | 90 | 29.7 Ų | 29.7 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.2 | 177.6 | 60.7 | 12.5 | 0 | 0 | 0 | 113.9 | T204 R208 | T204-D206 VanDerWaalsContact CB-OD1 3.26Å; T204-D206 WeakPolarHBondContact CB-OD1 3.28Å; T204-D206 PolarHBondContact O-N 2.67Å; T204-D206 PolarHBondContact OG1-OD1 2.89Å; D206-R208 VanDerWaalsContact CG-NE 3.33Å; D206-R208 IonicContact OD1-CZ 3.13Å; D206-R208 PolarHBondContact OD1-N 3.27Å; D206-R208 IonicContact OD1-NE 3.2Å; D206-R208 PolarHBondContact OD1-NE 3.26Å; D206-R208 VanDerWaalsContact OD1-NE 3.11Å; D206-R208 IonicContact OD1-NH2 2.7Å; D206-R208 IonicContact OD2-CZ 3.15Å; D206-R208 IonicContact OD2-NE 3.72Å; D206-R208 PolarHBondContact OD2-NE 2.77Å; D206-R208 IonicContact OD2-NH2 3.16Å; D206-R208 PolarHBondContact OD2-NH2 2.84Å |
| 207 | G | 83.4 | Confident | 81.5 | Confident | 53 Ų | 53 | 25.8 Ų | 25.8 | 55% | 0.546 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 94.1 | -0.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T204 | T204-G207 PolarHBondContact O-N 3.03Å; T204-G207 VanDerWaalsContact O-N 3.09Å |
| 208 | R | 86.7 | Confident | 80.8 | Confident | 54 Ų | 54 | 25.9 Ų | 25.9 | 20% | 0.204 | 16% | 0.164 | C | C | . | . | trans | -69.8 | 155.3 | 170.7 | -60.2 | 175.8 | -74 | 172.6 | -3.1 | 110.7 | T203 T204 D206 D336 E339 | T203-R208 WeakPolarHBondContact CA-O 3.29Å; T204-R208 PolarHBondContact N-O 3.42Å; T204-R208 WeakPolarHBondContact OG1-CA 3.29Å; T204-R208 VanDerWaalsContact OG1-CB 3.32Å; T204-R208 WeakPolarHBondContact OG1-CB 3.22Å; T204-R208 PolarHBondContact OG1-N 3.49Å; T204-R208 PolarHBondContact OG1-O 3.25Å; D206-R208 VanDerWaalsContact CG-NE 3.33Å; D206-R208 IonicContact OD1-CZ 3.13Å; D206-R208 PolarHBondContact OD1-N 3.27Å; D206-R208 IonicContact OD1-NE 3.2Å; D206-R208 PolarHBondContact OD1-NE 3.26Å; D206-R208 VanDerWaalsContact OD1-NE 3.11Å; D206-R208 IonicContact OD1-NH2 2.7Å; D206-R208 IonicContact OD2-CZ 3.15Å; D206-R208 IonicContact OD2-NE 3.72Å; D206-R208 PolarHBondContact OD2-NE 2.77Å; D206-R208 IonicContact OD2-NH2 3.16Å; D206-R208 PolarHBondContact OD2-NH2 2.84Å; R208-D336 IonicContact CZ-OD1 2.74Å; R208-D336 IonicContact NH1-OD1 2.66Å; R208-D336 PolarHBondContact NH1-OD1 3.3Å; R208-D336 IonicContact NH2-OD1 3.39Å; R208-D336 PolarHBondContact NH2-OD1 3.37Å; R208-E339 WeakPolarHBondContact CD-OE1 3.4Å; R208-E339 IonicContact CZ-OE1 2.69Å; R208-E339 IonicContact NE-OE1 2.89Å; R208-E339 IonicContact NH1-OE1 2.79Å; R208-E339 PolarHBondContact NH1-OE1 3.39Å; R208-E339 IonicContact NH1-OE2 3.17Å | ||
| 209 | S | 86.1 | Confident | 79.5 | Confident | 43 Ų | 43 | 22.6 Ų | 22.6 | 30% | 0.301 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.7 | -179 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | V202 | V202-S209 WeakPolarHBondContact O-CA 3.39Å |
| 210 | F | 86.6 | Confident | 78 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159 | 176.1 | 59.7 | -93.6 | 0 | 0 | 0 | 110.7 | D162 V163 V202 T204 A212 L331 T334 A335 L338 | D162-F210 HydrophobicContact CB-CB 4.17Å; D162-F210 WeakPolarHBondContact OD2-CA 3.37Å; V163-F210 HydrophobicContact CB-CD2 4.26Å; V163-F210 HydrophobicContact CB-CE2 4.28Å; V163-F210 HydrophobicContact CG2-CD2 3.54Å; V163-F210 HydrophobicContact CG2-CE2 3.71Å; V163-F210 HydrophobicContact CG2-CG 4.42Å; V202-F210 HydrophobicContact CB-CD1 4.35Å; V202-F210 HydrophobicContact CB-CD2 3.99Å; V202-F210 HydrophobicContact CB-CE1 4.02Å; V202-F210 HydrophobicContact CB-CE2 3.63Å; V202-F210 HydrophobicContact CB-CG 4.35Å; V202-F210 HydrophobicContact CB-CZ 3.66Å; V202-F210 HydrophobicContact CG1-CE1 3.84Å; V202-F210 HydrophobicContact CG1-CE2 4Å; V202-F210 HydrophobicContact CG1-CZ 3.51Å; V202-F210 HydrophobicContact CG2-CD2 4.19Å; V202-F210 HydrophobicContact CG2-CE2 3.69Å; V202-F210 HydrophobicContact CG2-CZ 4.1Å; V202-F210 PolarHBondContact N-O 3.35Å; V202-F210 PolarHBondContact O-N 2.97Å; V202-F210 VanDerWaalsContact O-N 3.1Å; T204-F210 HydrophobicContact CG2-CE1 4.01Å; F210-A212 HydrophobicContact CE2-CB 4.38Å; F210-L331 HydrophobicContact CZ-CD2 4.29Å; F210-T334 HydrophobicContact CE2-CG2 4.1Å; F210-T334 HydrophobicContact CZ-CG2 3.93Å; F210-A335 HydrophobicContact CD1-CB 4.36Å; F210-A335 HydrophobicContact CE1-CB 4.24Å; F210-L338 HydrophobicContact CB-CD1 3.57Å; F210-L338 HydrophobicContact CD1-CD1 3.99Å; F210-L338 HydrophobicContact CD2-CD1 4.04Å; F210-L338 HydrophobicContact CG-CD1 3.61Å |
| 211 | A | 84.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V159 L160 D162 V163 M201 | V159-A211 HydrophobicContact CG1-CB 3.34Å; L160-A211 WeakPolarHBondContact O-CB 3.36Å; D162-A211 WeakPolarHBondContact CB-O 3.14Å; D162-A211 PolarHBondContact N-O 3.19Å; D162-A211 PolarHBondContact OD2-N 3.46Å; V163-A211 PolarHBondContact N-O 3Å; M201-A211 HydrophobicContact SD-CB 3.87Å |
| 212 | A | 88.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | V163 L165 L177 L199 G200 V202 F210 | V163-A212 HydrophobicContact CB-CB 4.25Å; V163-A212 CarbonylContact O-C 3.46Å; V163-A212 WeakPolarHBondContact O-CA 3.39Å; L165-A212 HydrophobicContact CD1-CB 3.99Å; L177-A212 HydrophobicContact CD1-CB 3.81Å; L177-A212 WeakPolarHBondContact CD1-O 3.5Å; L199-A212 CarbonylContact C-O 3.51Å; L199-A212 WeakPolarHBondContact CA-O 3.31Å; G200-A212 PolarHBondContact N-O 2.83Å; G200-A212 PolarHBondContact O-N 2.83Å; V202-A212 HydrophobicContact CG2-CB 3.83Å; F210-A212 HydrophobicContact CE2-CB 4.38Å |
| 213 | A | 84.1 | Confident | 71.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A161 V163 L165 N198 L199 L215 | A161-A213 HydrophobicContact CB-CB 3.47Å; A161-A213 VanDerWaalsContact CB-CB 3.47Å; V163-A213 PolarHBondContact O-N 3.24Å; L165-A213 WeakPolarHBondContact CD1-O 3.21Å; L165-A213 PolarHBondContact N-O 2.88Å; N198-A213 WeakPolarHBondContact O-CA 3.49Å; L199-A213 HydrophobicContact CD2-CB 3.68Å; A213-L215 HydrophobicContact CB-CD2 3.71Å; A213-L215 PolarHBondContact O-N 3.08Å |
| 214 | D | 83 | Confident | 69.1 | Low | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116 | 156.8 | -178.1 | 10.1 | 0 | 0 | 0 | 107.5 | K173 S174 L177 N198 P216 | K173-D214 WeakPolarHBondContact CB-OD1 3.38Å; K173-D214 WeakPolarHBondContact CE-OD1 3.48Å; K173-D214 IonicContact NZ-OD1 3.37Å; K173-D214 PolarHBondContact NZ-OD1 2.96Å; S174-D214 WeakPolarHBondContact CA-OD2 3.4Å; S174-D214 WeakPolarHBondContact CB-OD2 3.24Å; S174-D214 PolarHBondContact N-OD2 3.29Å; S174-D214 PolarHBondContact OG-OD2 2.98Å; L177-D214 HydrophobicContact CD2-CB 3.75Å; N198-D214 HydrophobicContact CB-CB 4.26Å; N198-D214 PolarHBondContact O-N 3.47Å; D214-P216 WeakPolarHBondContact O-CD 3.22Å |
| 215 | L | 70.5 | Confident | 66.6 | Low | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -88.4 | 102.6 | -178 | -57.2 | -179.6 | 0 | 0 | 0 | 109 | L165 V166 K173 A213 L218 I236 | L165-L215 PolarHBondContact O-N 3.47Å; V166-L215 HydrophobicContact CG1-CD1 3.96Å; K173-L215 PolarHBondContact NZ-O 2.95Å; A213-L215 HydrophobicContact CB-CD2 3.71Å; A213-L215 PolarHBondContact O-N 3.08Å; L215-L218 HydrophobicContact CB-CD1 4.13Å; L215-L218 HydrophobicContact CD1-CD1 3.76Å; L215-I236 HydrophobicContact CB-CD1 4.27Å; L215-I236 HydrophobicContact CD1-CB 4.31Å; L215-I236 HydrophobicContact CD1-CD1 3.98Å; L215-I236 HydrophobicContact CD1-CG1 3.72Å; L215-I236 HydrophobicContact CD1-CG2 3.78Å; L215-I236 HydrophobicContact CD2-CD1 4.23Å; L215-I236 HydrophobicContact CD2-CG1 3.6Å; L215-I236 HydrophobicContact CG-CD1 4.37Å; L215-I236 HydrophobicContact CG-CG1 4.12Å | ||
| 216 | P | 60 | Low | 64.4 | Low | 29 Ų | 29 | 46 Ų | 46 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 152.9 | 172.3 | 27.8 | -34.7 | 0 | 0 | 0 | 110.6 | D214 L218 F232 | D214-P216 WeakPolarHBondContact O-CD 3.22Å; P216-L218 VanDerWaalsContact C-N 3.32Å; P216-L218 PolarHBondContact O-N 3.27Å; P216-L218 VanDerWaalsContact O-N 3.12Å; P216-F232 HydrophobicContact CG-CE2 4.03Å; P216-F232 HydrophobicContact CG-CZ 3.89Å; P216-F232 WeakPolarHBondContact O-CE1 3.32Å; P216-F232 WeakPolarHBondContact O-CZ 3.44Å |
| 217 | G | 56.9 | Low | 62.5 | Low | 15 Ų | 15 | 44.6 Ų | 44.6 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | -11.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | I219 E220 L228 | G217-I219 PolarHBondContact O-N 2.7Å; G217-I219 VanDerWaalsContact O-N 3.1Å; G217-E220 PolarHBondContact N-OE2 3.49Å; G217-L228 WeakPolarHBondContact O-CD1 3.33Å; G217-L228 VanDerWaalsContact O-CG 3.27Å; G217-L228 WeakPolarHBondContact O-CG 3.18Å |
| 218 | L | 54.5 | Low | 60.7 | Low | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -60.5 | -23.7 | 178.5 | -98.6 | 171.8 | 0 | 0 | 0 | 112.9 | V166 L215 P216 L228 L233 I236 E266 L267 | V166-L218 HydrophobicContact CG1-CD1 3.54Å; L215-L218 HydrophobicContact CB-CD1 4.13Å; L215-L218 HydrophobicContact CD1-CD1 3.76Å; P216-L218 VanDerWaalsContact C-N 3.32Å; P216-L218 PolarHBondContact O-N 3.27Å; P216-L218 VanDerWaalsContact O-N 3.12Å; L218-L228 HydrophobicContact CB-CD1 4.49Å; L218-L228 HydrophobicContact CD2-CD1 4.29Å; L218-L228 HydrophobicContact CG-CD1 4.25Å; L218-L233 HydrophobicContact CD2-CD2 4.4Å; L218-I236 HydrophobicContact CD1-CD1 3.8Å; L218-I236 HydrophobicContact CD1-CG2 4.49Å; L218-I236 HydrophobicContact CD2-CD1 4.31Å; L218-I236 HydrophobicContact CG-CD1 3.81Å; L218-E266 WeakPolarHBondContact O-CG 3.24Å; L218-L267 HydrophobicContact CD1-CD2 4.06Å; L218-L267 HydrophobicContact CD2-CD2 4.18Å |
| 219 | I | 50.6 | Low | 58.7 | Low | 20 Ų | 20 | 43 Ų | 43 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -131.9 | -19.6 | 178.2 | -57.3 | 143.2 | 0 | 0 | 0 | 111.5 | G167 F168 G217 G221 I263 E266 | G167-I219 VanDerWaalsContact O-CD1 3.28Å; G167-I219 WeakPolarHBondContact O-CD1 3.42Å; F168-I219 HydrophobicContact CD1-CG2 3.37Å; F168-I219 HydrophobicContact CE1-CG2 3.24Å; F168-I219 HydrophobicContact CE2-CG2 4.49Å; F168-I219 HydrophobicContact CG-CG2 4.08Å; F168-I219 HydrophobicContact CZ-CG2 3.85Å; G217-I219 PolarHBondContact O-N 2.7Å; G217-I219 VanDerWaalsContact O-N 3.1Å; I219-G221 PolarHBondContact O-N 3.27Å; I219-I263 HydrophobicContact CD1-CB 4.36Å; I219-I263 HydrophobicContact CD1-CD1 3.79Å; I219-I263 HydrophobicContact CD1-CG1 3.51Å; I219-I263 HydrophobicContact CD1-CG2 4.13Å; I219-I263 HydrophobicContact CG1-CG1 4.11Å; I219-E266 WeakPolarHBondContact CA-OE2 3.43Å; I219-E266 VanDerWaalsContact CG1-OE2 3.25Å; I219-E266 WeakPolarHBondContact CG1-OE2 3.3Å |
| 220 | E | 48.7 | Very low | 56.7 | Low | 106 Ų | 106 | 46.5 Ų | 46.5 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 0.1 | -171.3 | -81 | 167.1 | 170.7 | 0 | 0 | 115.1 | P169 G217 | P169-E220 HydrophobicContact CG-CG 3.88Å; G217-E220 PolarHBondContact N-OE2 3.49Å |
| 221 | G | 43.2 | Very low | 54.4 | Low | 14 Ų | 14 | 51 Ų | 51 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -5.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | I219 S223 Q224 G225 | I219-G221 PolarHBondContact O-N 3.27Å; G221-S223 VanDerWaalsContact C-N 3.28Å; G221-S223 PolarHBondContact O-N 3.42Å; G221-Q224 PolarHBondContact O-N 3.33Å; G221-G225 PolarHBondContact O-N 2.75Å |
| 222 | A | 42.5 | Very low | 52.6 | Low | 70 Ų | 70 | 51.5 Ų | 51.5 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q224 | A222-Q224 VanDerWaalsContact C-N 3.32Š|
| 223 | S | 38.1 | Very low | 50.7 | Low | 115 Ų | 115 | 52 Ų | 52 | 80% | 0.804 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.7 | 173.7 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | G221 | G221-S223 VanDerWaalsContact C-N 3.28Å; G221-S223 PolarHBondContact O-N 3.42Å |
| 224 | Q | 39.1 | Very low | 49 | Very low | 155 Ų | 155 | 55.9 Ų | 55.9 | 72% | 0.724 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 3.2 | -174.3 | -73.1 | -75.8 | -23.6 | 0 | 0 | 113.6 | G221 A222 V226 | G221-Q224 PolarHBondContact O-N 3.33Å; A222-Q224 VanDerWaalsContact C-N 3.32Å; Q224-V226 HydrophobicContact CB-CG2 4.43Å; Q224-V226 PolarHBondContact O-N 3.04Å; Q224-V226 VanDerWaalsContact O-N 3.09Å |
| 225 | G | 38.3 | Very low | 47.5 | Very low | 73 Ų | 73 | 55.9 Ų | 55.9 | 75% | 0.753 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 13.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G221 G227 | G221-G225 PolarHBondContact O-N 2.75Å; G225-G227 VanDerWaalsContact C-N 3.34Å; G225-G227 PolarHBondContact O-N 2.76Å; G225-G227 VanDerWaalsContact O-N 3.14Å |
| 226 | V | 40.7 | Very low | 46.9 | Very low | 109 Ų | 109 | 55.8 Ų | 55.8 | 66% | 0.661 | 36% | 0.357 | S | S | * | . | trans | -85.4 | 85.2 | 172.7 | -172.4 | 0 | 0 | 0 | 0 | 106.6 | Q224 L228 | Q224-V226 HydrophobicContact CB-CG2 4.43Å; Q224-V226 PolarHBondContact O-N 3.04Å; Q224-V226 VanDerWaalsContact O-N 3.09Å; V226-L228 PolarHBondContact O-N 2.74Å | ||
| 227 | G | 45.5 | Very low | 46.7 | Very low | 61 Ų | 61 | 55.2 Ų | 55.2 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -54 | 124.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | G225 G229 | G225-G227 VanDerWaalsContact C-N 3.34Å; G225-G227 PolarHBondContact O-N 2.76Å; G225-G227 VanDerWaalsContact O-N 3.14Å; G227-G229 PolarHBondContact O-N 2.9Å |
| 228 | L | 45.5 | Very low | 47 | Very low | 27 Ų | 27 | 59.3 Ų | 59.3 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -46 | 119.1 | 162.3 | -81 | 172 | 0 | 0 | 0 | 107 | L195 G217 L218 V226 T230 F232 L233 | L195-L228 HydrophobicContact CD1-CD2 4.44Å; G217-L228 WeakPolarHBondContact O-CD1 3.33Å; G217-L228 VanDerWaalsContact O-CG 3.27Å; G217-L228 WeakPolarHBondContact O-CG 3.18Å; L218-L228 HydrophobicContact CB-CD1 4.49Å; L218-L228 HydrophobicContact CD2-CD1 4.29Å; L218-L228 HydrophobicContact CG-CD1 4.25Å; V226-L228 PolarHBondContact O-N 2.74Å; L228-T230 PolarHBondContact O-N 2.8Å; L228-F232 HydrophobicContact CB-CD1 4.12Å; L228-F232 HydrophobicContact CD1-CD1 3.62Å; L228-F232 HydrophobicContact CD1-CE1 3.63Å; L228-F232 HydrophobicContact CD2-CD1 3.43Å; L228-F232 VanDerWaalsContact CD2-CD1 3.43Å; L228-F232 HydrophobicContact CD2-CE1 3.66Å; L228-F232 HydrophobicContact CD2-CG 4Å; L228-F232 HydrophobicContact CD2-CZ 4.43Å; L228-F232 HydrophobicContact CG-CD1 3.93Å; L228-F232 HydrophobicContact CG-CE1 4.22Å; L228-L233 HydrophobicContact CD1-CD2 4.36Å |
| 229 | G | 46.5 | Very low | 48 | Very low | 47 Ų | 47 | 59 Ų | 59 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 137.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109 | G227 Q231 F232 | G227-G229 PolarHBondContact O-N 2.9Å; G229-Q231 PolarHBondContact O-N 3.17Å; G229-F232 WeakPolarHBondContact O-CB 3.33Å; G229-F232 PolarHBondContact O-N 2.7Å |
| 230 | T | 42.1 | Very low | 49.5 | Very low | 115 Ų | 115 | 59.4 Ų | 59.4 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -24.1 | 178.6 | -43.9 | 0 | 0 | 0 | 0 | 112.4 | L228 | L228-T230 PolarHBondContact O-N 2.8Š|
| 231 | Q | 39.9 | Very low | 51.5 | Low | 102 Ų | 102 | 54.3 Ų | 54.3 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -31 | 177.5 | -57.2 | -169.3 | -13 | 0 | 0 | 115.3 | F192 G229 L233 R234 | F192-Q231 HydrophobicContact CB-CB 3.96Å; F192-Q231 HydrophobicContact CB-CG 4.46Å; F192-Q231 WeakPolarHBondContact CD2-O 3.47Å; F192-Q231 CarbonylContact O-C 3.6Å; F192-Q231 WeakPolarHBondContact O-CB 3.31Å; F192-Q231 PolarHBondContact O-OE1 3.05Å; F192-Q231 VanDerWaalsContact O-OE1 3.05Å; G229-Q231 PolarHBondContact O-N 3.17Å; Q231-L233 VanDerWaalsContact C-N 3.28Å; Q231-L233 PolarHBondContact O-N 3.27Å; Q231-R234 PolarHBondContact O-N 2.93Å |
| 232 | F | 46.5 | Very low | 53.6 | Low | 10 Ų | 10 | 53.7 Ų | 53.7 | 4% | 0.044 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -34.1 | 174.1 | 173.4 | -102.8 | 0 | 0 | 0 | 112.4 | T193 L195 P216 L228 G229 R234 H235 I236 | T193-F232 HydrophobicContact CG2-CB 4.49Å; T193-F232 HydrophobicContact CG2-CD2 4.47Å; L195-F232 HydrophobicContact CB-CD2 4.26Å; L195-F232 HydrophobicContact CB-CE2 4.31Å; P216-F232 HydrophobicContact CG-CE2 4.03Å; P216-F232 HydrophobicContact CG-CZ 3.89Å; P216-F232 WeakPolarHBondContact O-CE1 3.32Å; P216-F232 WeakPolarHBondContact O-CZ 3.44Å; L228-F232 HydrophobicContact CB-CD1 4.12Å; L228-F232 HydrophobicContact CD1-CD1 3.62Å; L228-F232 HydrophobicContact CD1-CE1 3.63Å; L228-F232 HydrophobicContact CD2-CD1 3.43Å; L228-F232 VanDerWaalsContact CD2-CD1 3.43Å; L228-F232 HydrophobicContact CD2-CE1 3.66Å; L228-F232 HydrophobicContact CD2-CG 4Å; L228-F232 HydrophobicContact CD2-CZ 4.43Å; L228-F232 HydrophobicContact CG-CD1 3.93Å; L228-F232 HydrophobicContact CG-CE1 4.22Å; G229-F232 WeakPolarHBondContact O-CB 3.33Å; G229-F232 PolarHBondContact O-N 2.7Å; F232-R234 PolarHBondContact O-N 2.77Å; F232-H235 PolarHBondContact O-N 2.8Å; F232-I236 HydrophobicContact CD1-CD1 3.86Å; F232-I236 HydrophobicContact CE1-CD1 3.31Å; F232-I236 HydrophobicContact CE1-CG1 4.28Å; F232-I236 HydrophobicContact CZ-CD1 3.96Å |
| 233 | L | 49.5 | Very low | 56.1 | Low | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -27.1 | -179.3 | -64.9 | 171.4 | 0 | 0 | 0 | 112.3 | L218 L228 Q231 H235 I236 E237 L272 | L218-L233 HydrophobicContact CD2-CD2 4.4Å; L228-L233 HydrophobicContact CD1-CD2 4.36Å; Q231-L233 VanDerWaalsContact C-N 3.28Å; Q231-L233 PolarHBondContact O-N 3.27Å; L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 3.14Å; L233-I236 HydrophobicContact CD2-CD1 4.34Å; L233-I236 WeakPolarHBondContact O-CB 3.37Å; L233-I236 PolarHBondContact O-N 3.33Å; L233-I236 VanDerWaalsContact O-N 3.14Å; L233-E237 WeakPolarHBondContact O-CB 3.36Å; L233-E237 VanDerWaalsContact O-CG 3.27Å; L233-E237 WeakPolarHBondContact O-CG 3.08Å; L233-E237 PolarHBondContact O-N 3.23Å; L233-L272 HydrophobicContact CB-CD1 3.51Å; L233-L272 HydrophobicContact CB-CD2 4.22Å; L233-L272 HydrophobicContact CB-CG 4.46Å; L233-L272 HydrophobicContact CD1-CD1 3.73Å; L233-L272 HydrophobicContact CD2-CD1 3.6Å; L233-L272 HydrophobicContact CG-CD1 3.73Å |
| 234 | R | 47.8 | Very low | 58.6 | Low | 82 Ų | 82 | 45 Ų | 45 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -29.7 | 175.8 | -82.1 | -171.1 | -80.2 | 165.5 | -14.9 | 115.5 | F192 Q231 F232 E237 | F192-R234 VanDerWaalsContact CD1-NH1 3.35Å; F192-R234 HydrophobicContact CD2-CB 4.12Å; F192-R234 HydrophobicContact CE2-CB 3.84Å; F192-R234 HydrophobicContact CZ-CB 4.21Å; Q231-R234 PolarHBondContact O-N 2.93Å; F232-R234 PolarHBondContact O-N 2.77Å; R234-E237 WeakPolarHBondContact CG-OE2 3.25Å; R234-E237 PolarHBondContact N-OE1 3.1Å; R234-E237 WeakPolarHBondContact O-CB 3.46Å |
| 235 | H | 50.5 | Low | 61.2 | Low | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.3 | -37.9 | 176.2 | -165.2 | 85 | 0 | 0 | 0 | 111.5 | F192 F232 L233 E237 | F192-H235 HydrophobicContact CE2-CB 4.48Å; F232-H235 PolarHBondContact O-N 2.8Å; L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 3.14Å; H235-E237 VanDerWaalsContact C-N 3.29Å |
| 236 | I | 58.4 | Low | 63.8 | Low | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 173.5 | -62.8 | 173.8 | 0 | 0 | 0 | 109.9 | L215 L218 F232 L233 R238 T239 L274 R277 | L215-I236 HydrophobicContact CB-CD1 4.27Å; L215-I236 HydrophobicContact CD1-CB 4.31Å; L215-I236 HydrophobicContact CD1-CD1 3.98Å; L215-I236 HydrophobicContact CD1-CG1 3.72Å; L215-I236 HydrophobicContact CD1-CG2 3.78Å; L215-I236 HydrophobicContact CD2-CD1 4.23Å; L215-I236 HydrophobicContact CD2-CG1 3.6Å; L215-I236 HydrophobicContact CG-CD1 4.37Å; L215-I236 HydrophobicContact CG-CG1 4.12Å; L218-I236 HydrophobicContact CD1-CD1 3.8Å; L218-I236 HydrophobicContact CD1-CG2 4.49Å; L218-I236 HydrophobicContact CD2-CD1 4.31Å; L218-I236 HydrophobicContact CG-CD1 3.81Å; F232-I236 HydrophobicContact CD1-CD1 3.86Å; F232-I236 HydrophobicContact CE1-CD1 3.31Å; F232-I236 HydrophobicContact CE1-CG1 4.28Å; F232-I236 HydrophobicContact CZ-CD1 3.96Å; L233-I236 HydrophobicContact CD2-CD1 4.34Å; L233-I236 WeakPolarHBondContact O-CB 3.37Å; L233-I236 PolarHBondContact O-N 3.33Å; L233-I236 VanDerWaalsContact O-N 3.14Å; I236-R238 PolarHBondContact O-N 2.97Å; I236-T239 WeakPolarHBondContact O-CB 3.4Å; I236-T239 PolarHBondContact O-N 3.4Å; I236-T239 PolarHBondContact O-OG1 3.11Å; I236-L274 HydrophobicContact CG2-CD1 4.22Å; I236-L274 HydrophobicContact CG2-CD2 3.85Å; I236-R277 PolarHBondContact O-NH1 2.63Å |
| 237 | E | 55.1 | Low | 66.3 | Low | 17 Ų | 17 | 29.2 Ų | 29.2 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -19.3 | 178.5 | -99.8 | 171.6 | -130.5 | 0 | 0 | 114.7 | L233 R234 H235 L272 R277 L346 | L233-E237 WeakPolarHBondContact O-CB 3.36Å; L233-E237 VanDerWaalsContact O-CG 3.27Å; L233-E237 WeakPolarHBondContact O-CG 3.08Å; L233-E237 PolarHBondContact O-N 3.23Å; R234-E237 WeakPolarHBondContact CG-OE2 3.25Å; R234-E237 PolarHBondContact N-OE1 3.1Å; R234-E237 WeakPolarHBondContact O-CB 3.46Å; H235-E237 VanDerWaalsContact C-N 3.29Å; E237-L272 HydrophobicContact CG-CD2 3.74Å; E237-L272 WeakPolarHBondContact OE1-CD2 3.36Å; E237-R277 VanDerWaalsContact C-NH2 3.3Å; E237-R277 VanDerWaalsContact O-CZ 3.28Å; E237-R277 PolarHBondContact O-NH1 2.8Å; E237-R277 PolarHBondContact O-NH2 3.33Å; E237-L346 HydrophobicContact CB-CD1 3.72Å; E237-L346 HydrophobicContact CB-CD2 3.35Å; E237-L346 HydrophobicContact CB-CG 4.13Å; E237-L346 HydrophobicContact CG-CD2 3.46Å; E237-L346 VanDerWaalsContact CG-CD2 3.46Å; E237-L346 VanDerWaalsContact OE2-CD2 3.31Å; E237-L346 WeakPolarHBondContact OE2-CD2 3.1Å |
| 238 | R | 63 | Low | 68.7 | Low | 100 Ų | 100 | 26.3 Ų | 26.3 | 38% | 0.377 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -10 | 173.6 | -67.1 | -167.3 | 171.8 | 125.9 | -8.5 | 115.4 | L160 I236 R240 L346 | L160-R238 VanDerWaalsContact CD1-CD 3.4Å; I236-R238 PolarHBondContact O-N 2.97Å; R238-R240 PolarHBondContact O-N 2.84Å; R238-L346 HydrophobicContact CG-CD1 3.75Å |
| 239 | T | 76.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -59.6 | 125.3 | 174.5 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | A161 D162 I236 I242 R277 | A161-T239 HydrophobicContact CB-CG2 4.05Å; A161-T239 WeakPolarHBondContact O-CA 3.49Å; D162-T239 CarbonylContact O-C 3.57Å; D162-T239 WeakPolarHBondContact O-CA 3.29Å; I236-T239 WeakPolarHBondContact O-CB 3.4Å; I236-T239 PolarHBondContact O-N 3.4Å; I236-T239 PolarHBondContact O-OG1 3.11Å; T239-I242 WeakPolarHBondContact OG1-CD1 3.43Å; T239-R277 WeakPolarHBondContact O-CD 3.38Å; T239-R277 VanDerWaalsContact O-CZ 3.23Å; T239-R277 PolarHBondContact O-NE 2.88Å; T239-R277 PolarHBondContact O-NH1 3.1Å; T239-R277 PolarHBondContact OG1-NH1 3.35Å | ||
| 240 | R | 82.8 | Confident | 72.6 | Confident | 28 Ų | 28 | 24.1 Ų | 24.1 | 11% | 0.106 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -84.8 | -32.1 | -179.8 | -68.4 | 160.7 | 71.1 | -165.8 | 8 | 111.2 | D162 R238 L338 T341 | D162-R240 PolarHBondContact O-N 2.73Å; R238-R240 PolarHBondContact O-N 2.84Å; R240-L338 HydrophobicContact CB-CD2 3.87Å; R240-L338 PolarHBondContact NH2-O 3.48Å; R240-T341 HydrophobicContact CB-CG2 4.19Å; R240-T341 PolarHBondContact NE-O 3.1Å; R240-T341 PolarHBondContact NH2-O 2.7Å |
| 241 | V | 89.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138 | -177.8 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | D162 V163 G164 L243 I280 T334 L337 L338 | D162-V241 PolarHBondContact O-N 3.45Å; V163-V241 WeakPolarHBondContact CA-O 3.32Å; V163-V241 HydrophobicContact CG2-CB 4.46Å; G164-V241 PolarHBondContact N-O 2.7Å; V241-L243 HydrophobicContact CG1-CD2 4.4Å; V241-I280 HydrophobicContact CG1-CD1 4.34Å; V241-T334 HydrophobicContact CG1-CG2 4.35Å; V241-L337 HydrophobicContact CG1-CD2 3.91Å; V241-L337 HydrophobicContact CG2-CB 4.33Å; V241-L337 HydrophobicContact CG2-CD2 4Å; V241-L337 HydrophobicContact CG2-CG 3.9Å; V241-L338 HydrophobicContact CB-CD2 4.21Å; V241-L338 HydrophobicContact CG2-CD2 3.75Å; V241-L338 HydrophobicContact CG2-CG 4.08Å |
| 242 | I | 89 | Confident | 76.2 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.6 | 175.4 | -58.9 | -62.1 | 0 | 0 | 0 | 109.7 | G164 V166 T239 R277 P278 Q279 I280 | G164-I242 WeakPolarHBondContact O-CA 3.35Å; V166-I242 HydrophobicContact CB-CG2 4.34Å; V166-I242 HydrophobicContact CG1-CG2 3.94Å; V166-I242 HydrophobicContact CG2-CG2 3.44Å; V166-I242 VanDerWaalsContact CG2-CG2 3.44Å; T239-I242 WeakPolarHBondContact OG1-CD1 3.43Å; I242-R277 HydrophobicContact CG1-CB 4.31Å; I242-P278 PolarHBondContact N-O 2.84Å; I242-P278 VanDerWaalsContact N-O 3.12Å; I242-Q279 HydrophobicContact CB-CG 4.38Å; I242-Q279 WeakPolarHBondContact O-CA 3.4Å; I242-I280 PolarHBondContact O-N 3.38Å |
| 243 | L | 93 | Very high | 77.7 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 111.2 | 169.5 | -62.7 | -173.2 | 0 | 0 | 0 | 109.5 | V163 G164 L165 V166 V241 V245 I280 V282 L330 T334 | V163-L243 HydrophobicContact CG1-CB 4.47Å; V163-L243 HydrophobicContact CG1-CD1 3.71Å; V163-L243 HydrophobicContact CG1-CD2 4.38Å; V163-L243 HydrophobicContact CG1-CG 3.51Å; G164-L243 PolarHBondContact O-N 3.09Å; L165-L243 WeakPolarHBondContact CA-O 3.44Å; L165-L243 HydrophobicContact CG-CB 4.32Å; L165-L243 HydrophobicContact CG-CD1 4.44Å; V166-L243 PolarHBondContact N-O 3.19Å; V241-L243 HydrophobicContact CG1-CD2 4.4Å; L243-V245 PolarHBondContact O-N 3.28Å; L243-I280 WeakPolarHBondContact CA-O 3.2Å; L243-I280 HydrophobicContact CD2-CB 3.67Å; L243-I280 HydrophobicContact CD2-CD1 4.09Å; L243-I280 HydrophobicContact CD2-CG1 4.34Å; L243-I280 HydrophobicContact CD2-CG2 4.14Å; L243-V282 HydrophobicContact CB-CG2 4.02Å; L243-V282 HydrophobicContact CD2-CG2 4.28Å; L243-L330 HydrophobicContact CD2-CD1 4.2Å; L243-T334 HydrophobicContact CD2-CG2 4.28Å |
| 244 | H | 91.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 99.6 | -179.7 | -161.2 | 152.5 | 0 | 0 | 0 | 110.2 | V166 I246 Y260 I263 I280 I281 V282 | V166-H244 HydrophobicContact CG2-CB 4.26Å; H244-I246 WeakPolarHBondContact CD2-CD1 3.41Å; H244-I246 VanDerWaalsContact NE2-CD1 3.28Å; H244-I246 WeakPolarHBondContact NE2-CD1 3.46Å; H244-I246 PolarHBondContact O-N 2.76Å; H244-Y260 AromaticContact CE1-CD2 3.25Å; H244-Y260 WeakPolarHBondContact CE1-CD2 3.47Å; H244-Y260 AromaticContact CE1-CE2 3.82Å; H244-Y260 PolarHBondContact CE1-O 2.88Å; H244-Y260 AromaticContact ND1-CD2 3.28Å; H244-Y260 VanDerWaalsContact ND1-CD2 3.28Å; H244-Y260 WeakPolarHBondContact ND1-CD2 3.47Å; H244-Y260 AromaticContact ND1-CE2 3.46Å; H244-Y260 WeakPolarHBondContact ND1-CE2 3.31Å; H244-Y260 AromaticContact NE2-CD2 3.98Å; H244-I263 VanDerWaalsContact CE1-CB 3.47Å; H244-I263 WeakPolarHBondContact CE1-CB 3.3Å; H244-I263 VanDerWaalsContact CE1-CG2 3.45Å; H244-I263 WeakPolarHBondContact CE1-CG2 3.5Å; H244-I263 VanDerWaalsContact NE2-CB 3.34Å; H244-I263 WeakPolarHBondContact NE2-CB 3.3Å; H244-I263 WeakPolarHBondContact NE2-CD1 3.17Å; H244-I263 WeakPolarHBondContact NE2-CG2 3.43Å; H244-I280 PolarHBondContact N-O 2.93Å; H244-I281 HydrophobicContact CB-CG1 4.49Å; H244-V282 PolarHBondContact O-N 3.35Å |
| 245 | V | 93.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 113.5 | -178.1 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | L165 V166 G167 V171 K173 I176 L243 V282 N284 | L165-V245 HydrophobicContact CB-CG2 4.42Å; L165-V245 HydrophobicContact CD2-CG2 4.16Å; V166-V245 PolarHBondContact O-N 3.35Å; G167-V245 WeakPolarHBondContact CA-O 3.35Å; V171-V245 HydrophobicContact CB-CG1 4.23Å; V171-V245 HydrophobicContact CG2-CB 3.97Å; V171-V245 HydrophobicContact CG2-CG1 3.75Å; K173-V245 HydrophobicContact CG-CB 4.17Å; K173-V245 HydrophobicContact CG-CG2 4.2Å; I176-V245 HydrophobicContact CD1-CB 4.35Å; I176-V245 HydrophobicContact CD1-CG1 3.46Å; I176-V245 VanDerWaalsContact CD1-CG1 3.46Å; I176-V245 HydrophobicContact CD1-CG2 3.87Å; L243-V245 PolarHBondContact O-N 3.28Å; V245-V282 WeakPolarHBondContact CA-O 3.41Å; V245-V282 HydrophobicContact CG2-CB 4.29Å; V245-N284 HydrophobicContact CG1-CB 3.99Å |
| 246 | I | 93.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.5 | 178.5 | -59.2 | -61.5 | 0 | 0 | 0 | 109.7 | H244 M248 P256 D259 I263 I281 V282 N284 | H244-I246 WeakPolarHBondContact CD2-CD1 3.41Å; H244-I246 VanDerWaalsContact NE2-CD1 3.28Å; H244-I246 WeakPolarHBondContact NE2-CD1 3.46Å; H244-I246 PolarHBondContact O-N 2.76Å; I246-M248 HydrophobicContact CB-CE 3.88Å; I246-M248 HydrophobicContact CG2-CE 3.53Å; I246-M248 HydrophobicContact CG2-SD 4.48Å; I246-M248 PolarHBondContact O-N 2.5Å; I246-P256 HydrophobicContact CG2-CB 3.66Å; I246-D259 HydrophobicContact CD1-CB 4.22Å; I246-I263 HydrophobicContact CD1-CD1 4.08Å; I246-I281 HydrophobicContact CG1-CG2 4.45Å; I246-V282 PolarHBondContact N-O 2.92Å; I246-N284 PolarHBondContact O-N 3.24Å |
| 247 | D | 93.4 | Very high | 84.8 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 108.6 | 173.2 | -178.6 | -2.6 | 0 | 0 | 0 | 110.7 | V171 S249 K285 | V171-D247 HydrophobicContact CB-CB 4.25Å; V171-D247 HydrophobicContact CG1-CB 4.04Å; D247-S249 VanDerWaalsContact C-N 3.31Å; D247-S249 VanDerWaalsContact CG-OG 3.24Å; D247-S249 PolarHBondContact O-N 2.93Å; D247-S249 WeakPolarHBondContact OD1-CB 3.36Å; D247-S249 PolarHBondContact OD1-N 3.02Å; D247-S249 PolarHBondContact OD1-OG 3.11Å; D247-S249 PolarHBondContact OD2-OG 3.38Å; D247-K285 WeakPolarHBondContact OD1-CD 3.36Å; D247-K285 VanDerWaalsContact OD2-CE 3.3Å; D247-K285 WeakPolarHBondContact OD2-CE 3.38Å; D247-K285 IonicContact OD2-NZ 2.68Å; D247-K285 PolarHBondContact OD2-NZ 3.31Å |
| 248 | M | 95 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.8 | 178.6 | -68.9 | -60.9 | 151.9 | 0 | 0 | 113.8 | I246 G250 P256 A283 N284 M286 A291 N294 L295 F298 | I246-M248 HydrophobicContact CB-CE 3.88Å; I246-M248 HydrophobicContact CG2-CE 3.53Å; I246-M248 HydrophobicContact CG2-SD 4.48Å; I246-M248 PolarHBondContact O-N 2.5Å; M248-G250 VanDerWaalsContact C-N 3.26Å; M248-G250 PolarHBondContact O-N 3.31Å; M248-P256 HydrophobicContact CE-CB 4.18Å; M248-P256 HydrophobicContact SD-CB 3.85Å; M248-P256 HydrophobicContact SD-CG 4.2Å; M248-A283 HydrophobicContact CE-CB 3.64Å; M248-A283 HydrophobicContact CG-CB 3.67Å; M248-A283 HydrophobicContact SD-CB 4.34Å; M248-N284 PolarHBondContact N-O 3.2Å; M248-M286 HydrophobicContact CB-SD 3.82Å; M248-M286 HydrophobicContact CG-SD 3.89Å; M248-A291 HydrophobicContact CB-CB 4.05Å; M248-A291 WeakPolarHBondContact O-CA 3.37Å; M248-N294 VanDerWaalsContact O-CB 3.28Å; M248-N294 WeakPolarHBondContact O-CB 3.42Å; M248-N294 PolarHBondContact O-ND2 2.77Å; M248-L295 HydrophobicContact CE-CD1 4.4Å; M248-L295 HydrophobicContact CG-CB 4.5Å; M248-L295 HydrophobicContact SD-CB 4.37Å; M248-L295 HydrophobicContact SD-CD1 4.27Å; M248-F298 HydrophobicContact CE-CB 4.37Å; M248-F298 HydrophobicContact CE-CD1 3.81Å; M248-F298 HydrophobicContact CE-CD2 3.99Å; M248-F298 HydrophobicContact CE-CE1 4.01Å; M248-F298 HydrophobicContact CE-CE2 4.2Å; M248-F298 HydrophobicContact CE-CG 3.8Å; M248-F298 HydrophobicContact CE-CZ 4.22Å; M248-F298 HydrophobicContact SD-CB 4.28Å; M248-F298 HydrophobicContact SD-CG 4.33Å |
| 249 | S | 91.4 | Very high | 87.6 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -26.9 | -178.3 | 73.7 | 0 | 0 | 0 | 0 | 113 | D247 M251 M288 | D247-S249 VanDerWaalsContact C-N 3.31Å; D247-S249 VanDerWaalsContact CG-OG 3.24Å; D247-S249 PolarHBondContact O-N 2.93Å; D247-S249 WeakPolarHBondContact OD1-CB 3.36Å; D247-S249 PolarHBondContact OD1-N 3.02Å; D247-S249 PolarHBondContact OD1-OG 3.11Å; D247-S249 PolarHBondContact OD2-OG 3.38Å; S249-M251 PolarHBondContact O-N 3.48Å; S249-M251 VanDerWaalsContact OG-CG 3.32Å; S249-M251 WeakPolarHBondContact OG-CG 3.13Å; S249-M251 PolarHBondContact OG-N 3.48Å; S249-M288 VanDerWaalsContact CB-CB 3.44Å |
| 250 | G | 83.5 | Confident | 88.2 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 22% | 0.216 | 18% | 0.183 | C | C | . | . | trans | 62.5 | 15.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | M248 E252 G253 | M248-G250 VanDerWaalsContact C-N 3.26Å; M248-G250 PolarHBondContact O-N 3.31Å; G250-E252 PolarHBondContact O-N 2.84Å; G250-G253 PolarHBondContact O-N 3.45Å | ||
| 251 | M | 79.4 | Confident | 88.5 | Confident | 128 Ų | 128 | 36.8 Ų | 36.8 | 63% | 0.631 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.6 | -172.8 | -77.7 | -178.1 | 81.3 | 0 | 0 | 114.4 | S249 G253 M288 | S249-M251 PolarHBondContact O-N 3.48Å; S249-M251 VanDerWaalsContact OG-CG 3.32Å; S249-M251 WeakPolarHBondContact OG-CG 3.13Å; S249-M251 PolarHBondContact OG-N 3.48Å; M251-G253 PolarHBondContact O-N 2.99Å; M251-M288 HydrophobicContact CE-CE 3.87Å; M251-M288 HydrophobicContact CG-CE 4.31Å; M251-M288 HydrophobicContact SD-CE 3.19Å; M251-M288 WeakPolarHBondContact SD-CE 3.15Å; M251-M288 HydrophobicContact SD-CG 4.38Å; M251-M288 HydrophobicContact SD-SD 4.26Å |
| 252 | E | 77.1 | Confident | 88.3 | Confident | 94 Ų | 94 | 38.9 Ų | 38.9 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 8.3 | 177.8 | -62.8 | -167.8 | 166.9 | 0 | 0 | 112.8 | S170 G250 R254 | S170-E252 WeakPolarHBondContact CB-OE1 3.24Å; S170-E252 PolarHBondContact OG-OE1 3.19Å; G250-E252 PolarHBondContact O-N 2.84Å; E252-R254 HydrophobicContact CB-CG 4.31Å; E252-R254 PolarHBondContact O-N 3.02Å; E252-R254 IonicContact OE2-CZ 3.95Å; E252-R254 IonicContact OE2-NE 2.87Å; E252-R254 IonicContact OE2-NH1 3.72Å; E252-R254 PolarHBondContact OE2-NH1 2.92Å; E252-R254 IonicContact OE2-NH2 3.05Å; E252-R254 PolarHBondContact OE2-NH2 3.09Å; E252-R254 VanDerWaalsContact OE2-NH2 3.13Å |
| 253 | G | 79.4 | Confident | 88.1 | Confident | 74 Ų | 74 | 39 Ų | 39 | 76% | 0.763 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 72.5 | 15.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G250 M251 | G250-G253 PolarHBondContact O-N 3.45Å; M251-G253 PolarHBondContact O-N 2.99Å |
| 254 | R | 81.1 | Confident | 87.6 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | trans | -92.8 | 140.7 | 176 | -59.6 | -164.8 | -56.6 | -119.9 | -11.3 | 110.7 | P169 E252 D259 | P169-R254 PolarHBondContact O-NH2 3.02Å; E252-R254 HydrophobicContact CB-CG 4.31Å; E252-R254 PolarHBondContact O-N 3.02Å; E252-R254 IonicContact OE2-CZ 3.95Å; E252-R254 IonicContact OE2-NE 2.87Å; E252-R254 IonicContact OE2-NH1 3.72Å; E252-R254 PolarHBondContact OE2-NH1 2.92Å; E252-R254 IonicContact OE2-NH2 3.05Å; E252-R254 PolarHBondContact OE2-NH2 3.09Å; E252-R254 VanDerWaalsContact OE2-NH2 3.13Å; R254-D259 WeakPolarHBondContact CD-OD1 3.49Å; R254-D259 IonicContact CZ-OD2 3.3Å; R254-D259 IonicContact NE-OD1 3.43Å; R254-D259 IonicContact NE-OD2 3.6Å; R254-D259 PolarHBondContact NE-OD2 2.66Å; R254-D259 IonicContact NH2-OD2 3.17Å | ||
| 255 | E | 88.7 | Confident | 87.1 | Confident | 106 Ų | 106 | 48.3 Ų | 48.3 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | trans | -84.3 | 122.2 | 172.7 | -79.2 | -64.1 | 155.1 | 0 | 0 | 110.1 | Y257 E258 D259 | E255-Y257 PolarHBondContact O-N 3.05Å; E255-Y257 VanDerWaalsContact O-N 3.07Å; E255-E258 HydrophobicContact CB-CB 4.16Å; E255-E258 HydrophobicContact CB-CG 3.9Å; E255-E258 PolarHBondContact O-N 3.03Å; E255-D259 PolarHBondContact O-N 2.88Å | ||
| 256 | P | 91.9 | Very high | 86.2 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.7 | -34.5 | -174 | -29.9 | 36.2 | 0 | 0 | 0 | 114.6 | I246 M248 Y260 N294 F298 | I246-P256 HydrophobicContact CG2-CB 3.66Å; M248-P256 HydrophobicContact CE-CB 4.18Å; M248-P256 HydrophobicContact SD-CB 3.85Å; M248-P256 HydrophobicContact SD-CG 4.2Å; P256-Y260 PolarHBondContact O-N 3.2Å; P256-N294 HydrophobicContact CG-CB 4.33Å; P256-F298 HydrophobicContact CB-CD2 3.94Å; P256-F298 WeakPolarHBondContact O-CE2 3.36Å |
| 257 | Y | 91.7 | Very high | 85.4 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.2 | -36.3 | -179.4 | -175.6 | -106.6 | 0 | 0 | 0 | 112.6 | E255 D259 Y260 Q261 F298 A301 L302 D305 | E255-Y257 PolarHBondContact O-N 3.05Å; E255-Y257 VanDerWaalsContact O-N 3.07Å; Y257-D259 VanDerWaalsContact C-N 3.34Å; Y257-Y260 HydrophobicContact CD2-CD1 4.49Å; Y257-Y260 HydrophobicContact CE2-CD1 4.29Å; Y257-Y260 PolarHBondContact O-N 3.26Å; Y257-Q261 VanDerWaalsContact CE1-CD 3.47Å; Y257-Q261 HydrophobicContact CE1-CG 4.06Å; Y257-Q261 VanDerWaalsContact CE1-NE2 3.28Å; Y257-Q261 WeakPolarHBondContact O-CG 3.34Å; Y257-Q261 PolarHBondContact O-N 2.88Å; Y257-Q261 PolarHBondContact OH-NE2 2.99Å; Y257-Q261 VanDerWaalsContact OH-NE2 3.1Å; Y257-F298 HydrophobicContact CD2-CD2 4.15Å; Y257-F298 HydrophobicContact CD2-CE2 4.14Å; Y257-A301 HydrophobicContact CD1-CB 3.83Å; Y257-A301 HydrophobicContact CD2-CB 3.57Å; Y257-A301 HydrophobicContact CE1-CB 4.02Å; Y257-A301 HydrophobicContact CE2-CB 3.79Å; Y257-A301 HydrophobicContact CG-CB 3.61Å; Y257-L302 HydrophobicContact CE2-CD2 4.11Å; Y257-L302 HydrophobicContact CE2-CG 4.32Å; Y257-D305 WeakPolarHBondContact OH-CB 3.3Å; Y257-D305 PolarHBondContact OH-OD2 2.6Å |
| 258 | E | 89.5 | Confident | 84.4 | Confident | 125 Ų | 125 | 52 Ų | 52 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.8 | -39.1 | 174 | -63.5 | -174 | 169.5 | 0 | 0 | 110.8 | E255 Y260 Q261 A262 | E255-E258 HydrophobicContact CB-CB 4.16Å; E255-E258 HydrophobicContact CB-CG 3.9Å; E255-E258 PolarHBondContact O-N 3.03Å; E258-Y260 VanDerWaalsContact C-N 3.34Å; E258-Y260 PolarHBondContact O-N 2.74Å; E258-Q261 PolarHBondContact O-N 2.54Å; E258-A262 WeakPolarHBondContact O-CB 3.09Å; E258-A262 PolarHBondContact O-N 2.78Å |
| 259 | D | 88.4 | Confident | 83.1 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 173.8 | -80.7 | 1.4 | 0 | 0 | 0 | 110.7 | F168 I246 R254 E255 Y257 Q261 A262 I263 | F168-D259 HydrophobicContact CD2-CB 3.83Å; F168-D259 HydrophobicContact CE2-CB 3.83Å; I246-D259 HydrophobicContact CD1-CB 4.22Å; R254-D259 WeakPolarHBondContact CD-OD1 3.49Å; R254-D259 IonicContact CZ-OD2 3.3Å; R254-D259 IonicContact NE-OD1 3.43Å; R254-D259 IonicContact NE-OD2 3.6Å; R254-D259 PolarHBondContact NE-OD2 2.66Å; R254-D259 IonicContact NH2-OD2 3.17Å; E255-D259 PolarHBondContact O-N 2.88Å; Y257-D259 VanDerWaalsContact C-N 3.34Å; D259-Q261 VanDerWaalsContact C-N 3.35Å; D259-Q261 PolarHBondContact O-N 2.89Å; D259-A262 PolarHBondContact O-N 2.78Å; D259-I263 VanDerWaalsContact O-CG1 3.23Å; D259-I263 WeakPolarHBondContact O-CG1 3.48Å; D259-I263 PolarHBondContact O-N 3.3Å |
| 260 | Y | 89.9 | Confident | 81.6 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 176.6 | 171.2 | -98.7 | 0 | 0 | 0 | 112.8 | H244 P256 Y257 E258 N264 I281 F298 L302 I314 | H244-Y260 AromaticContact CE1-CD2 3.25Å; H244-Y260 WeakPolarHBondContact CE1-CD2 3.47Å; H244-Y260 AromaticContact CE1-CE2 3.82Å; H244-Y260 PolarHBondContact CE1-O 2.88Å; H244-Y260 AromaticContact ND1-CD2 3.28Å; H244-Y260 VanDerWaalsContact ND1-CD2 3.28Å; H244-Y260 WeakPolarHBondContact ND1-CD2 3.47Å; H244-Y260 AromaticContact ND1-CE2 3.46Å; H244-Y260 WeakPolarHBondContact ND1-CE2 3.31Å; H244-Y260 AromaticContact NE2-CD2 3.98Å; P256-Y260 PolarHBondContact O-N 3.2Å; Y257-Y260 HydrophobicContact CD2-CD1 4.49Å; Y257-Y260 HydrophobicContact CE2-CD1 4.29Å; Y257-Y260 PolarHBondContact O-N 3.26Å; E258-Y260 VanDerWaalsContact C-N 3.34Å; E258-Y260 PolarHBondContact O-N 2.74Å; Y260-N264 WeakPolarHBondContact CE1-ND2 3.38Å; Y260-N264 VanDerWaalsContact CE2-ND2 3.28Å; Y260-N264 WeakPolarHBondContact CE2-ND2 3.41Å; Y260-N264 PolarHBondContact O-N 2.75Å; Y260-N264 VanDerWaalsContact O-N 3.16Å; Y260-N264 PolarHBondContact OH-ND2 2.75Å; Y260-N264 VanDerWaalsContact OH-ND2 3.17Å; Y260-I281 HydrophobicContact CD2-CD1 4.03Å; Y260-I281 HydrophobicContact CD2-CG1 4.28Å; Y260-I281 HydrophobicContact CE2-CD1 3.5Å; Y260-I281 HydrophobicContact CE2-CG1 3.82Å; Y260-F298 HydrophobicContact CD2-CZ 4.33Å; Y260-F298 HydrophobicContact CG-CE2 4.28Å; Y260-F298 HydrophobicContact CG-CZ 4.13Å; Y260-L302 HydrophobicContact CD1-CD2 4.1Å; Y260-L302 HydrophobicContact CE1-CD2 3.63Å; Y260-I314 VanDerWaalsContact OH-CD1 3.23Å; Y260-I314 WeakPolarHBondContact OH-CD1 3.45Å |
| 261 | Q | 88.9 | Confident | 80.2 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 177.8 | -72.1 | -174.7 | -36.2 | 0 | 0 | 112.3 | Y257 E258 D259 N264 K265 | Y257-Q261 VanDerWaalsContact CE1-CD 3.47Å; Y257-Q261 HydrophobicContact CE1-CG 4.06Å; Y257-Q261 VanDerWaalsContact CE1-NE2 3.28Å; Y257-Q261 WeakPolarHBondContact O-CG 3.34Å; Y257-Q261 PolarHBondContact O-N 2.88Å; Y257-Q261 PolarHBondContact OH-NE2 2.99Å; Y257-Q261 VanDerWaalsContact OH-NE2 3.1Å; E258-Q261 PolarHBondContact O-N 2.54Å; D259-Q261 VanDerWaalsContact C-N 3.35Å; D259-Q261 PolarHBondContact O-N 2.89Å; Q261-N264 PolarHBondContact O-N 2.85Å; Q261-K265 WeakPolarHBondContact O-CB 2.97Å; Q261-K265 PolarHBondContact O-N 3.45Å |
| 262 | A | 84.5 | Confident | 79.3 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F168 E258 D259 K265 E266 | F168-A262 HydrophobicContact CE2-CB 4.16Å; F168-A262 HydrophobicContact CZ-CB 3.96Å; E258-A262 WeakPolarHBondContact O-CB 3.09Å; E258-A262 PolarHBondContact O-N 2.78Å; D259-A262 PolarHBondContact O-N 2.78Å; A262-K265 WeakPolarHBondContact O-CB 3.4Å; A262-K265 PolarHBondContact O-N 2.91Å; A262-E266 PolarHBondContact O-N 2.98Å |
| 263 | I | 84.1 | Confident | 78.8 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 179.2 | -65 | 170.8 | 0 | 0 | 0 | 110.9 | V166 F168 I219 H244 I246 D259 K265 E266 L267 | V166-I263 HydrophobicContact CB-CG2 4.45Å; V166-I263 HydrophobicContact CG2-CG2 4.08Å; F168-I263 HydrophobicContact CD2-CD1 3.66Å; F168-I263 HydrophobicContact CD2-CG1 3.97Å; F168-I263 HydrophobicContact CE2-CD1 3.89Å; F168-I263 HydrophobicContact CE2-CG1 3.69Å; F168-I263 HydrophobicContact CZ-CG1 4.47Å; I219-I263 HydrophobicContact CD1-CB 4.36Å; I219-I263 HydrophobicContact CD1-CD1 3.79Å; I219-I263 HydrophobicContact CD1-CG1 3.51Å; I219-I263 HydrophobicContact CD1-CG2 4.13Å; I219-I263 HydrophobicContact CG1-CG1 4.11Å; H244-I263 VanDerWaalsContact CE1-CB 3.47Å; H244-I263 WeakPolarHBondContact CE1-CB 3.3Å; H244-I263 VanDerWaalsContact CE1-CG2 3.45Å; H244-I263 WeakPolarHBondContact CE1-CG2 3.5Å; H244-I263 VanDerWaalsContact NE2-CB 3.34Å; H244-I263 WeakPolarHBondContact NE2-CB 3.3Å; H244-I263 WeakPolarHBondContact NE2-CD1 3.17Å; H244-I263 WeakPolarHBondContact NE2-CG2 3.43Å; I246-I263 HydrophobicContact CD1-CD1 4.08Å; D259-I263 VanDerWaalsContact O-CG1 3.23Å; D259-I263 WeakPolarHBondContact O-CG1 3.48Å; D259-I263 PolarHBondContact O-N 3.3Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 2.83Å; I263-E266 WeakPolarHBondContact O-CB 3.26Å; I263-E266 PolarHBondContact O-N 3.23Å; I263-L267 HydrophobicContact CG2-CD1 4.06Å; I263-L267 HydrophobicContact CG2-CG 4.35Å; I263-L267 WeakPolarHBondContact O-CG 3.34Å; I263-L267 PolarHBondContact O-N 2.94Å |
| 264 | N | 83.7 | Confident | 78.4 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 177.6 | -84 | -31.4 | 0 | 0 | 0 | 113.1 | Y260 Q261 E266 L267 G268 Q279 | Y260-N264 WeakPolarHBondContact CE1-ND2 3.38Å; Y260-N264 VanDerWaalsContact CE2-ND2 3.28Å; Y260-N264 WeakPolarHBondContact CE2-ND2 3.41Å; Y260-N264 PolarHBondContact O-N 2.75Å; Y260-N264 VanDerWaalsContact O-N 3.16Å; Y260-N264 PolarHBondContact OH-ND2 2.75Å; Y260-N264 VanDerWaalsContact OH-ND2 3.17Å; Q261-N264 PolarHBondContact O-N 2.85Å; N264-E266 VanDerWaalsContact C-N 3.27Å; N264-E266 PolarHBondContact O-N 3.39Å; N264-L267 PolarHBondContact O-N 3Å; N264-G268 PolarHBondContact O-N 2.85Å; N264-Q279 PolarHBondContact OD1-NE2 2.84Å; N264-Q279 PolarHBondContact OD1-OE1 3.29Å |
| 265 | K | 81.5 | Confident | 78 | Confident | 173 Ų | 173 | 61 Ų | 61 | 75% | 0.752 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.7 | -39.3 | 174.1 | -176.1 | -178.2 | 177.4 | -175.7 | 0 | 111.2 | Q261 A262 I263 S269 | Q261-K265 WeakPolarHBondContact O-CB 2.97Å; Q261-K265 PolarHBondContact O-N 3.45Å; A262-K265 WeakPolarHBondContact O-CB 3.4Å; A262-K265 PolarHBondContact O-N 2.91Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 2.83Å; K265-S269 PolarHBondContact O-N 3.5Å; K265-S269 VanDerWaalsContact O-N 3.11Å |
| 266 | E | 74 | Confident | 77.5 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70 | -48.2 | 177.2 | -172.9 | 159.8 | -151.9 | 0 | 0 | 111.8 | L218 I219 A262 I263 N264 G268 S269 H270 | L218-E266 WeakPolarHBondContact O-CG 3.24Å; I219-E266 WeakPolarHBondContact CA-OE2 3.43Å; I219-E266 VanDerWaalsContact CG1-OE2 3.25Å; I219-E266 WeakPolarHBondContact CG1-OE2 3.3Å; A262-E266 PolarHBondContact O-N 2.98Å; I263-E266 WeakPolarHBondContact O-CB 3.26Å; I263-E266 PolarHBondContact O-N 3.23Å; N264-E266 VanDerWaalsContact C-N 3.27Å; N264-E266 PolarHBondContact O-N 3.39Å; E266-G268 PolarHBondContact O-N 3.47Å; E266-S269 WeakPolarHBondContact O-CB 2.89Å; E266-S269 PolarHBondContact O-N 3.07Å; E266-S269 PolarHBondContact O-OG 3.37Å; E266-H270 PolarHBondContact O-CD2 3.35Å; E266-H270 VanDerWaalsContact O-CD2 3.28Å |
| 267 | L | 76.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.8 | -38.7 | 173.9 | -70.3 | 173.8 | 0 | 0 | 0 | 112.3 | V166 L218 I263 N264 L274 L275 | V166-L267 HydrophobicContact CG1-CD2 4.49Å; V166-L267 HydrophobicContact CG2-CD1 4.45Å; L218-L267 HydrophobicContact CD1-CD2 4.06Å; L218-L267 HydrophobicContact CD2-CD2 4.18Å; I263-L267 HydrophobicContact CG2-CD1 4.06Å; I263-L267 HydrophobicContact CG2-CG 4.35Å; I263-L267 WeakPolarHBondContact O-CG 3.34Å; I263-L267 PolarHBondContact O-N 2.94Å; N264-L267 PolarHBondContact O-N 3Å; L267-L274 HydrophobicContact CD2-CB 4.44Å; L267-L274 HydrophobicContact CD2-CD1 3.76Å; L267-L275 HydrophobicContact CB-CD2 4.1Å |
| 268 | G | 72.2 | Confident | 77 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -75.9 | -19.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N264 E266 H270 | N264-G268 PolarHBondContact O-N 2.85Å; E266-G268 PolarHBondContact O-N 3.47Å; G268-H270 VanDerWaalsContact C-N 3.26Å; G268-H270 PolarHBondContact O-N 2.88Å |
| 269 | S | 68.5 | Low | 77 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -74.2 | -20.2 | 177.8 | 75.2 | 0 | 0 | 0 | 0 | 112.9 | K265 E266 | K265-S269 PolarHBondContact O-N 3.5Å; K265-S269 VanDerWaalsContact O-N 3.11Å; E266-S269 WeakPolarHBondContact O-CB 2.89Å; E266-S269 PolarHBondContact O-N 3.07Å; E266-S269 PolarHBondContact O-OG 3.37Å |
| 270 | H | 60.3 | Low | 77.3 | Confident | 50 Ų | 50 | 56 Ų | 56 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -92.4 | 128.9 | 176 | -65 | -72 | 0 | 0 | 0 | 110.2 | E266 G268 L272 | E266-H270 PolarHBondContact O-CD2 3.35Å; E266-H270 VanDerWaalsContact O-CD2 3.28Å; G268-H270 VanDerWaalsContact C-N 3.26Å; G268-H270 PolarHBondContact O-N 2.88Å; H270-L272 HydrophobicContact CB-CB 4.48Å; H270-L272 HydrophobicContact CB-CD1 3.75Å; H270-L272 HydrophobicContact CB-CG 3.92Å; H270-L272 PolarHBondContact O-N 2.99Å |
| 271 | N | 52.8 | Low | 77.5 | Confident | 174 Ų | 174 | 55.2 Ų | 55.2 | 93% | 0.93 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -69.1 | 46.9 | -180 | -97 | -10.5 | 0 | 0 | 0 | 113.6 | ||
| 272 | L | 60.4 | Low | 77.9 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -117 | 9.2 | -165.5 | -65.2 | -179.3 | 0 | 0 | 0 | 113.9 | L233 E237 H270 L274 | L233-L272 HydrophobicContact CB-CD1 3.51Å; L233-L272 HydrophobicContact CB-CD2 4.22Å; L233-L272 HydrophobicContact CB-CG 4.46Å; L233-L272 HydrophobicContact CD1-CD1 3.73Å; L233-L272 HydrophobicContact CD2-CD1 3.6Å; L233-L272 HydrophobicContact CG-CD1 3.73Å; E237-L272 HydrophobicContact CG-CD2 3.74Å; E237-L272 WeakPolarHBondContact OE1-CD2 3.36Å; H270-L272 HydrophobicContact CB-CB 4.48Å; H270-L272 HydrophobicContact CB-CD1 3.75Å; H270-L272 HydrophobicContact CB-CG 3.92Å; H270-L272 PolarHBondContact O-N 2.99Å; L272-L274 HydrophobicContact CB-CD1 4.07Å; L272-L274 HydrophobicContact CB-CD2 4.22Å; L272-L274 HydrophobicContact CB-CG 3.65Å; L272-L274 HydrophobicContact CD1-CD1 3.92Å; L272-L274 HydrophobicContact CD1-CG 4.34Å; L272-L274 PolarHBondContact O-N 2.89Å |
| 273 | R | 67 | Low | 78.5 | Confident | 145 Ų | 145 | 49.2 Ų | 49.2 | 55% | 0.547 | 25% | 0.254 | S | S | . | . | trans | 52.2 | 22.3 | -176.3 | -57.6 | 177.3 | 66.8 | -171.7 | -3.9 | 112.8 | L275 E276 | R273-L275 PolarHBondContact O-N 2.77Å; R273-E276 HydrophobicContact CB-CG 4.22Å; R273-E276 WeakPolarHBondContact CG-OE1 3.11Å; R273-E276 IonicContact CZ-OE2 3.97Å; R273-E276 VanDerWaalsContact NE-CD 3.29Å; R273-E276 IonicContact NE-OE1 2.78Å; R273-E276 PolarHBondContact NE-OE1 2.87Å; R273-E276 VanDerWaalsContact NE-OE1 3.15Å; R273-E276 IonicContact NE-OE2 3.89Å; R273-E276 PolarHBondContact NE-OE2 3.5Å; R273-E276 IonicContact NH2-OE2 2.52Å; R273-E276 PolarHBondContact NH2-OE2 3.27Å; R273-E276 WeakPolarHBondContact O-CB 3.37Å; R273-E276 PolarHBondContact O-N 2.83Å | ||
| 274 | L | 70.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -64.4 | -31.2 | -176.9 | -64.4 | 177.5 | 0 | 0 | 0 | 112.1 | I236 L267 L272 E276 R277 | I236-L274 HydrophobicContact CG2-CD1 4.22Å; I236-L274 HydrophobicContact CG2-CD2 3.85Å; L267-L274 HydrophobicContact CD2-CB 4.44Å; L267-L274 HydrophobicContact CD2-CD1 3.76Å; L272-L274 HydrophobicContact CB-CD1 4.07Å; L272-L274 HydrophobicContact CB-CD2 4.22Å; L272-L274 HydrophobicContact CB-CG 3.65Å; L272-L274 HydrophobicContact CD1-CD1 3.92Å; L272-L274 HydrophobicContact CD1-CG 4.34Å; L272-L274 PolarHBondContact O-N 2.89Å; L274-E276 PolarHBondContact O-N 2.87Å; L274-R277 VanDerWaalsContact O-CB 3.31Å; L274-R277 WeakPolarHBondContact O-CB 3.44Å; L274-R277 WeakPolarHBondContact O-CG 3.38Å; L274-R277 PolarHBondContact O-N 2.77Å |
| 275 | L | 73.6 | Confident | 79.6 | Confident | 89 Ų | 89 | 50 Ų | 50 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -72 | -17.5 | 175.7 | -69.8 | -177.8 | 0 | 0 | 0 | 113.5 | L267 R273 R277 | L267-L275 HydrophobicContact CB-CD2 4.1Å; R273-L275 PolarHBondContact O-N 2.77Å; L275-R277 PolarHBondContact O-N 3.42Å |
| 276 | E | 78.7 | Confident | 80.3 | Confident | 109 Ų | 109 | 43.6 Ų | 43.6 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -77.5 | -11.1 | 174.5 | -59 | 178.2 | -160.5 | 0 | 0 | 111.9 | R273 L274 F344 | R273-E276 HydrophobicContact CB-CG 4.22Å; R273-E276 WeakPolarHBondContact CG-OE1 3.11Å; R273-E276 IonicContact CZ-OE2 3.97Å; R273-E276 VanDerWaalsContact NE-CD 3.29Å; R273-E276 IonicContact NE-OE1 2.78Å; R273-E276 PolarHBondContact NE-OE1 2.87Å; R273-E276 VanDerWaalsContact NE-OE1 3.15Å; R273-E276 IonicContact NE-OE2 3.89Å; R273-E276 PolarHBondContact NE-OE2 3.5Å; R273-E276 IonicContact NH2-OE2 2.52Å; R273-E276 PolarHBondContact NH2-OE2 3.27Å; R273-E276 WeakPolarHBondContact O-CB 3.37Å; R273-E276 PolarHBondContact O-N 2.83Å; L274-E276 PolarHBondContact O-N 2.87Å; E276-F344 HydrophobicContact CB-CE1 4.2Å |
| 277 | R | 82.9 | Confident | 81.2 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -81.3 | 137.5 | -177.4 | -55.3 | -176.5 | 179.4 | -172.5 | 4.8 | 110.1 | I236 E237 T239 I242 L274 L275 Q279 F344 | I236-R277 PolarHBondContact O-NH1 2.63Å; E237-R277 VanDerWaalsContact C-NH2 3.3Å; E237-R277 VanDerWaalsContact O-CZ 3.28Å; E237-R277 PolarHBondContact O-NH1 2.8Å; E237-R277 PolarHBondContact O-NH2 3.33Å; T239-R277 WeakPolarHBondContact O-CD 3.38Å; T239-R277 VanDerWaalsContact O-CZ 3.23Å; T239-R277 PolarHBondContact O-NE 2.88Å; T239-R277 PolarHBondContact O-NH1 3.1Å; T239-R277 PolarHBondContact OG1-NH1 3.35Å; I242-R277 HydrophobicContact CG1-CB 4.31Å; L274-R277 VanDerWaalsContact O-CB 3.31Å; L274-R277 WeakPolarHBondContact O-CB 3.44Å; L274-R277 WeakPolarHBondContact O-CG 3.38Å; L274-R277 PolarHBondContact O-N 2.77Å; L275-R277 PolarHBondContact O-N 3.42Å; R277-Q279 WeakPolarHBondContact O-CG 3.4Å; R277-Q279 PolarHBondContact O-N 2.83Å; R277-F344 HydrophobicContact CB-CE2 4.23Å; R277-F344 HydrophobicContact CB-CZ 4.27Å; R277-F344 HydrophobicContact CG-CD2 4.13Å; R277-F344 HydrophobicContact CG-CE1 4.27Å; R277-F344 HydrophobicContact CG-CE2 3.65Å; R277-F344 HydrophobicContact CG-CZ 3.73Å |
| 278 | P | 89.2 | Confident | 82 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 26% | 0.26 | 25% | 0.249 | S | C | . | . | trans | -54.4 | 129.6 | 170.3 | -28.6 | 38.7 | 0 | 0 | 0 | 111.3 | I242 L337 T341 | I242-P278 PolarHBondContact N-O 2.84Å; I242-P278 VanDerWaalsContact N-O 3.12Å; P278-L337 HydrophobicContact CB-CD1 3.88Å; P278-L337 HydrophobicContact CB-CD2 3.63Å; P278-L337 HydrophobicContact CB-CG 3.88Å; P278-L337 HydrophobicContact CG-CD1 4.4Å; P278-T341 HydrophobicContact CG-CG2 3.78Å | ||
| 279 | Q | 90.2 | Very high | 82.7 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.5 | 179.4 | -56.2 | -170.4 | 19.3 | 0 | 0 | 109.9 | I242 N264 R277 I314 | I242-Q279 HydrophobicContact CB-CG 4.38Å; I242-Q279 WeakPolarHBondContact O-CA 3.4Å; N264-Q279 PolarHBondContact OD1-NE2 2.84Å; N264-Q279 PolarHBondContact OD1-OE1 3.29Å; R277-Q279 WeakPolarHBondContact O-CG 3.4Å; R277-Q279 PolarHBondContact O-N 2.83Å; Q279-I314 WeakPolarHBondContact O-CG2 3.45Å |
| 280 | I | 94.2 | Very high | 83.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.8 | 166.9 | -63 | 173.5 | 0 | 0 | 0 | 107.6 | V241 I242 L243 H244 P315 F317 L330 L337 | V241-I280 HydrophobicContact CG1-CD1 4.34Å; I242-I280 PolarHBondContact O-N 3.38Å; L243-I280 WeakPolarHBondContact CA-O 3.2Å; L243-I280 HydrophobicContact CD2-CB 3.67Å; L243-I280 HydrophobicContact CD2-CD1 4.09Å; L243-I280 HydrophobicContact CD2-CG1 4.34Å; L243-I280 HydrophobicContact CD2-CG2 4.14Å; H244-I280 PolarHBondContact N-O 2.93Å; I280-P315 HydrophobicContact CG2-CB 4.48Å; I280-F317 HydrophobicContact CG2-CD2 3.46Å; I280-F317 VanDerWaalsContact CG2-CD2 3.46Å; I280-F317 HydrophobicContact CG2-CE2 3.81Å; I280-L330 HydrophobicContact CG2-CD1 3.8Å; I280-L337 HydrophobicContact CD1-CD2 3.7Å; I280-L337 HydrophobicContact CG1-CD2 3.69Å |
| 281 | I | 95.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.6 | 175.6 | -60.1 | 169.2 | 0 | 0 | 0 | 109.1 | H244 I246 Y260 F298 L302 I314 P315 V316 F317 | H244-I281 HydrophobicContact CB-CG1 4.49Å; I246-I281 HydrophobicContact CG1-CG2 4.45Å; Y260-I281 HydrophobicContact CD2-CD1 4.03Å; Y260-I281 HydrophobicContact CD2-CG1 4.28Å; Y260-I281 HydrophobicContact CE2-CD1 3.5Å; Y260-I281 HydrophobicContact CE2-CG1 3.82Å; I281-F298 HydrophobicContact CD1-CE1 4.2Å; I281-F298 HydrophobicContact CD1-CZ 4.22Å; I281-F298 HydrophobicContact CG2-CE1 3.83Å; I281-F298 HydrophobicContact CG2-CZ 3.95Å; I281-L302 HydrophobicContact CD1-CD1 3.7Å; I281-L302 HydrophobicContact CD1-CD2 4.06Å; I281-I314 HydrophobicContact CD1-CB 4.34Å; I281-I314 HydrophobicContact CD1-CG2 3.76Å; I281-I314 HydrophobicContact CG1-CG2 3.78Å; I281-P315 PolarHBondContact N-O 3.33Å; I281-V316 HydrophobicContact CB-CG1 4.43Å; I281-V316 HydrophobicContact CB-CG2 4.19Å; I281-V316 HydrophobicContact CD1-CG2 4.25Å; I281-V316 HydrophobicContact CG2-CG1 4.26Å; I281-V316 WeakPolarHBondContact O-CA 3.41Å; I281-F317 PolarHBondContact O-N 3.23Å |
| 282 | V | 96.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 97.6 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | I176 L243 H244 V245 I246 N284 I319 L330 | I176-V282 HydrophobicContact CD1-CG1 4.19Å; L243-V282 HydrophobicContact CB-CG2 4.02Å; L243-V282 HydrophobicContact CD2-CG2 4.28Å; H244-V282 PolarHBondContact O-N 3.35Å; V245-V282 WeakPolarHBondContact CA-O 3.41Å; V245-V282 HydrophobicContact CG2-CB 4.29Å; I246-V282 PolarHBondContact N-O 2.92Å; V282-N284 PolarHBondContact O-N 3.15Å; V282-I319 HydrophobicContact CG1-CD1 3.27Å; V282-I319 HydrophobicContact CG1-CG1 3.6Å; V282-L330 HydrophobicContact CG1-CD2 3.89Å; V282-L330 HydrophobicContact CG2-CD1 3.72Å; V282-L330 HydrophobicContact CG2-CD2 3.84Å; V282-L330 HydrophobicContact CG2-CG 4.45Å |
| 283 | A | 96.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 94.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | M248 M286 L295 V316 F317 A318 I319 | M248-A283 HydrophobicContact CE-CB 3.64Å; M248-A283 HydrophobicContact CG-CB 3.67Å; M248-A283 HydrophobicContact SD-CB 4.34Å; A283-M286 WeakPolarHBondContact O-CG 3.32Å; A283-L295 HydrophobicContact CB-CD1 3.72Å; A283-V316 HydrophobicContact CB-CG1 4.3Å; A283-F317 PolarHBondContact N-O 2.98Å; A283-A318 WeakPolarHBondContact O-CA 3.28Å; A283-I319 PolarHBondContact O-N 3.21Å |
| 284 | N | 96.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 169.2 | -174.3 | -167.9 | 32.1 | 0 | 0 | 0 | 112.8 | V171 I176 V245 I246 M248 V282 M286 I319 A321 | V171-N284 PolarHBondContact O-ND2 3.45Å; I176-N284 HydrophobicContact CD1-CB 4.37Å; V245-N284 HydrophobicContact CG1-CB 3.99Å; I246-N284 PolarHBondContact O-N 3.24Å; M248-N284 PolarHBondContact N-O 3.2Å; V282-N284 PolarHBondContact O-N 3.15Å; N284-M286 VanDerWaalsContact C-N 3.34Å; N284-I319 WeakPolarHBondContact CA-O 3.29Å; N284-I319 HydrophobicContact CB-CD1 4.5Å; N284-I319 HydrophobicContact CB-CG1 4.16Å; N284-A321 PolarHBondContact OD1-N 3.44Å |
| 285 | K | 95 | Very high | 91.3 | Very high | 40 Ų | 40 | 47 Ų | 47 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | trans | 62.1 | 35.5 | -178.2 | -50.4 | -163.5 | -162.6 | 164.6 | 0 | 113.7 | S170 D247 D287 M288 I319 | S170-K285 WeakPolarHBondContact O-CE 3.47Å; S170-K285 PolarHBondContact O-NZ 2.89Å; D247-K285 WeakPolarHBondContact OD1-CD 3.36Å; D247-K285 VanDerWaalsContact OD2-CE 3.3Å; D247-K285 WeakPolarHBondContact OD2-CE 3.38Å; D247-K285 IonicContact OD2-NZ 2.68Å; D247-K285 PolarHBondContact OD2-NZ 3.31Å; K285-D287 WeakPolarHBondContact CA-OD1 3.44Å; K285-D287 PolarHBondContact O-N 2.83Å; K285-D287 VanDerWaalsContact O-N 3.15Å; K285-M288 HydrophobicContact CB-CG 4Å; K285-M288 WeakPolarHBondContact O-CB 3.41Å; K285-M288 WeakPolarHBondContact O-CG 3.34Å; K285-M288 PolarHBondContact O-N 2.85Å; K285-I319 PolarHBondContact N-O 3.1Å | ||
| 286 | M | 95.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11 | 177.4 | -66.1 | -60.3 | -52.7 | 0 | 0 | 114.2 | M248 A283 N284 M288 A291 E292 L295 A318 I319 | M248-M286 HydrophobicContact CB-SD 3.82Å; M248-M286 HydrophobicContact CG-SD 3.89Å; A283-M286 WeakPolarHBondContact O-CG 3.32Å; N284-M286 VanDerWaalsContact C-N 3.34Å; M286-M288 PolarHBondContact O-N 3.43Å; M286-A291 HydrophobicContact CE-CB 4.13Å; M286-A291 HydrophobicContact SD-CB 4.03Å; M286-E292 HydrophobicContact CE-CG 4.08Å; M286-L295 HydrophobicContact CE-CB 4.18Å; M286-L295 HydrophobicContact CE-CD2 3.66Å; M286-L295 HydrophobicContact SD-CB 4.36Å; M286-L295 HydrophobicContact SD-CD2 4.05Å; M286-A318 HydrophobicContact CG-CB 4.01Å; M286-A318 HydrophobicContact SD-CB 4.38Å; M286-I319 WeakPolarHBondContact CB-O 3.08Å; M286-I319 VanDerWaalsContact CG-O 3.24Å; M286-I319 WeakPolarHBondContact CG-O 3.37Å; M286-I319 PolarHBondContact N-O 2.81Å |
| 287 | D | 93.3 | Very high | 92.9 | Very high | 65 Ų | 65 | 49.7 Ų | 49.7 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.5 | 170.4 | 53.6 | -66.9 | 0 | 0 | 0 | 113.7 | K285 S320 T323 | K285-D287 WeakPolarHBondContact CA-OD1 3.44Å; K285-D287 PolarHBondContact O-N 2.83Å; K285-D287 VanDerWaalsContact O-N 3.15Å; D287-S320 VanDerWaalsContact OD1-CB 3.25Å; D287-S320 WeakPolarHBondContact OD1-CB 3.24Å; D287-S320 PolarHBondContact OD1-OG 3.12Å; D287-T323 HydrophobicContact CB-CG2 3.96Å |
| 288 | M | 92.9 | Very high | 93.4 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 28% | 0.281 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -87.7 | 154.7 | -176.9 | -62.7 | -56.7 | -59.9 | 0 | 0 | 113.3 | S249 M251 K285 M286 A291 | S249-M288 VanDerWaalsContact CB-CB 3.44Å; M251-M288 HydrophobicContact CE-CE 3.87Å; M251-M288 HydrophobicContact CG-CE 4.31Å; M251-M288 HydrophobicContact SD-CE 3.19Å; M251-M288 WeakPolarHBondContact SD-CE 3.15Å; M251-M288 HydrophobicContact SD-CG 4.38Å; M251-M288 HydrophobicContact SD-SD 4.26Å; K285-M288 HydrophobicContact CB-CG 4Å; K285-M288 WeakPolarHBondContact O-CB 3.41Å; K285-M288 WeakPolarHBondContact O-CG 3.34Å; K285-M288 PolarHBondContact O-N 2.85Å; M286-M288 PolarHBondContact O-N 3.43Å; M288-A291 VanDerWaalsContact O-CB 3.31Å; M288-A291 WeakPolarHBondContact O-CB 3.27Å; M288-A291 PolarHBondContact O-N 3.16Å |
| 289 | P | 88.4 | Confident | 93.6 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 149.4 | 170.3 | -21.5 | 32.9 | 0 | 0 | 0 | 111.8 | A291 | P289-A291 PolarHBondContact O-N 3.46Š|
| 290 | N | 89.7 | Confident | 93.7 | Very high | 107 Ų | 107 | 54.1 Ų | 54.1 | 57% | 0.572 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -10.2 | -179.1 | -49.7 | -29 | 0 | 0 | 0 | 116.1 | E292 E293 N294 | N290-E292 VanDerWaalsContact C-N 3.3Å; N290-E292 PolarHBondContact O-N 2.77Å; N290-E293 PolarHBondContact O-N 2.88Å; N290-E293 VanDerWaalsContact O-N 3.11Å; N290-N294 WeakPolarHBondContact O-CB 3.21Å; N290-N294 PolarHBondContact O-N 2.65Å |
| 291 | A | 92.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.7 | -39.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M248 M286 M288 P289 L295 | M248-A291 HydrophobicContact CB-CB 4.05Å; M248-A291 WeakPolarHBondContact O-CA 3.37Å; M286-A291 HydrophobicContact CE-CB 4.13Å; M286-A291 HydrophobicContact SD-CB 4.03Å; M288-A291 VanDerWaalsContact O-CB 3.31Å; M288-A291 WeakPolarHBondContact O-CB 3.27Å; M288-A291 PolarHBondContact O-N 3.16Å; P289-A291 PolarHBondContact O-N 3.46Å; A291-L295 VanDerWaalsContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 PolarHBondContact O-N 2.7Å |
| 292 | E | 93.5 | Very high | 93.2 | Very high | 158 Ų | 158 | 56.4 Ų | 56.4 | 74% | 0.738 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 176.3 | -66.6 | -174.6 | 173.3 | 0 | 0 | 113.2 | M286 N290 K296 | M286-E292 HydrophobicContact CE-CG 4.08Å; N290-E292 VanDerWaalsContact C-N 3.3Å; N290-E292 PolarHBondContact O-N 2.77Å; E292-K296 PolarHBondContact O-N 2.91Å; E292-K296 VanDerWaalsContact O-N 3.14Å |
| 293 | E | 93.8 | Very high | 92.7 | Very high | 109 Ų | 109 | 62.7 Ų | 62.7 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 178.3 | -169.6 | -171.8 | 153.3 | 0 | 0 | 110.7 | N290 K296 K297 | N290-E293 PolarHBondContact O-N 2.88Å; N290-E293 VanDerWaalsContact O-N 3.11Å; E293-K296 WeakPolarHBondContact O-CB 3.44Å; E293-K296 PolarHBondContact O-N 2.85Å; E293-K297 PolarHBondContact O-N 2.91Å; E293-K297 WeakPolarHBondContact OE1-CE 3.28Å; E293-K297 IonicContact OE1-NZ 2.72Å; E293-K297 PolarHBondContact OE1-NZ 3.04Å |
| 294 | N | 94.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 177.1 | -73.3 | -12 | 0 | 0 | 0 | 111.7 | M248 P256 N290 K296 K297 F298 | M248-N294 VanDerWaalsContact O-CB 3.28Å; M248-N294 WeakPolarHBondContact O-CB 3.42Å; M248-N294 PolarHBondContact O-ND2 2.77Å; P256-N294 HydrophobicContact CG-CB 4.33Å; N290-N294 WeakPolarHBondContact O-CB 3.21Å; N290-N294 PolarHBondContact O-N 2.65Å; N294-K296 VanDerWaalsContact C-N 3.26Å; N294-K296 PolarHBondContact O-N 2.92Å; N294-K297 PolarHBondContact O-N 3.05Å; N294-F298 WeakPolarHBondContact O-CB 3.36Å; N294-F298 PolarHBondContact O-N 2.81Å |
| 295 | L | 94.2 | Very high | 91.5 | Very high | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -39.3 | 174.4 | 178.8 | 61.8 | 0 | 0 | 0 | 111.6 | M248 A283 M286 A291 F298 K299 V316 A318 | M248-L295 HydrophobicContact CE-CD1 4.4Å; M248-L295 HydrophobicContact CG-CB 4.5Å; M248-L295 HydrophobicContact SD-CB 4.37Å; M248-L295 HydrophobicContact SD-CD1 4.27Å; A283-L295 HydrophobicContact CB-CD1 3.72Å; M286-L295 HydrophobicContact CE-CB 4.18Å; M286-L295 HydrophobicContact CE-CD2 3.66Å; M286-L295 HydrophobicContact SD-CB 4.36Å; M286-L295 HydrophobicContact SD-CD2 4.05Å; A291-L295 VanDerWaalsContact O-CB 3.24Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 PolarHBondContact O-N 2.7Å; L295-F298 PolarHBondContact O-N 2.87Å; L295-K299 HydrophobicContact CD1-CD 4.49Å; L295-K299 HydrophobicContact CD1-CG 4.4Å; L295-K299 HydrophobicContact CG-CD 4.47Å; L295-K299 WeakPolarHBondContact O-CB 3.32Å; L295-K299 WeakPolarHBondContact O-CG 3.39Å; L295-K299 PolarHBondContact O-N 2.83Å; L295-V316 HydrophobicContact CD1-CG1 4.16Å; L295-A318 HydrophobicContact CD2-CB 3.79Å |
| 296 | K | 93.9 | Very high | 90.5 | Very high | 147 Ų | 147 | 76.4 Ų | 76.4 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.8 | -48.9 | 177 | -163.9 | 178.2 | -177.2 | -180 | 0 | 111.2 | E292 E293 N294 F298 K299 D300 | E292-K296 PolarHBondContact O-N 2.91Å; E292-K296 VanDerWaalsContact O-N 3.14Å; E293-K296 WeakPolarHBondContact O-CB 3.44Å; E293-K296 PolarHBondContact O-N 2.85Å; N294-K296 VanDerWaalsContact C-N 3.26Å; N294-K296 PolarHBondContact O-N 2.92Å; K296-F298 VanDerWaalsContact C-N 3.29Å; K296-F298 PolarHBondContact O-N 3.46Å; K296-K299 PolarHBondContact O-N 3.41Å; K296-D300 PolarHBondContact O-N 2.67Å |
| 297 | K | 93.4 | Very high | 89 | Confident | 109 Ų | 109 | 84.3 Ų | 84.3 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 174.8 | -69.7 | 174.3 | -174.3 | 163.1 | 0 | 111.9 | E293 N294 D300 A301 | E293-K297 PolarHBondContact O-N 2.91Å; E293-K297 WeakPolarHBondContact OE1-CE 3.28Å; E293-K297 IonicContact OE1-NZ 2.72Å; E293-K297 PolarHBondContact OE1-NZ 3.04Å; N294-K297 PolarHBondContact O-N 3.05Å; K297-D300 PolarHBondContact O-N 2.97Å; K297-A301 WeakPolarHBondContact O-CB 3.25Å; K297-A301 PolarHBondContact O-N 3.18Å |
| 298 | F | 93.5 | Very high | 88 | Confident | 2 Ų | 2 | 85.4 Ų | 85.4 | 1% | 0.009 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 178.4 | -179 | -92.7 | 0 | 0 | 0 | 111.8 | M248 P256 Y257 Y260 I281 N294 L295 K296 D300 A301 L302 | M248-F298 HydrophobicContact CE-CB 4.37Å; M248-F298 HydrophobicContact CE-CD1 3.81Å; M248-F298 HydrophobicContact CE-CD2 3.99Å; M248-F298 HydrophobicContact CE-CE1 4.01Å; M248-F298 HydrophobicContact CE-CE2 4.2Å; M248-F298 HydrophobicContact CE-CG 3.8Å; M248-F298 HydrophobicContact CE-CZ 4.22Å; M248-F298 HydrophobicContact SD-CB 4.28Å; M248-F298 HydrophobicContact SD-CG 4.33Å; P256-F298 HydrophobicContact CB-CD2 3.94Å; P256-F298 WeakPolarHBondContact O-CE2 3.36Å; Y257-F298 HydrophobicContact CD2-CD2 4.15Å; Y257-F298 HydrophobicContact CD2-CE2 4.14Å; Y260-F298 HydrophobicContact CD2-CZ 4.33Å; Y260-F298 HydrophobicContact CG-CE2 4.28Å; Y260-F298 HydrophobicContact CG-CZ 4.13Å; I281-F298 HydrophobicContact CD1-CE1 4.2Å; I281-F298 HydrophobicContact CD1-CZ 4.22Å; I281-F298 HydrophobicContact CG2-CE1 3.83Å; I281-F298 HydrophobicContact CG2-CZ 3.95Å; N294-F298 WeakPolarHBondContact O-CB 3.36Å; N294-F298 PolarHBondContact O-N 2.81Å; L295-F298 PolarHBondContact O-N 2.87Å; K296-F298 VanDerWaalsContact C-N 3.29Å; K296-F298 PolarHBondContact O-N 3.46Å; F298-D300 VanDerWaalsContact C-N 3.31Å; F298-D300 PolarHBondContact O-N 2.83Å; F298-A301 PolarHBondContact O-N 2.93Å; F298-L302 HydrophobicContact CD1-CD1 3.77Å; F298-L302 HydrophobicContact CD1-CG 4.32Å; F298-L302 HydrophobicContact CE1-CD1 3.29Å; F298-L302 HydrophobicContact CE1-CG 3.97Å; F298-L302 HydrophobicContact CZ-CD1 3.97Å; F298-L302 HydrophobicContact CZ-CG 4.28Å; F298-L302 PolarHBondContact O-N 3.44Å |
| 299 | K | 92.8 | Very high | 86.9 | Confident | 87 Ų | 87 | 91.3 Ų | 91.3 | 38% | 0.378 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 174.9 | -75.4 | -179 | 176.9 | -173.7 | 0 | 112.2 | L295 K296 K303 | L295-K299 HydrophobicContact CD1-CD 4.49Å; L295-K299 HydrophobicContact CD1-CG 4.4Å; L295-K299 HydrophobicContact CG-CD 4.47Å; L295-K299 WeakPolarHBondContact O-CB 3.32Å; L295-K299 WeakPolarHBondContact O-CG 3.39Å; L295-K299 PolarHBondContact O-N 2.83Å; K296-K299 PolarHBondContact O-N 3.41Å; K299-K303 WeakPolarHBondContact O-CG 3.11Å; K299-K303 PolarHBondContact O-N 2.98Å |
| 300 | D | 92 | Very high | 86 | Confident | 76 Ų | 76 | 95.7 Ų | 95.7 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 176.5 | -69.6 | -20.1 | 0 | 0 | 0 | 111.9 | K296 K297 F298 K304 | K296-D300 PolarHBondContact O-N 2.67Å; K297-D300 PolarHBondContact O-N 2.97Å; F298-D300 VanDerWaalsContact C-N 3.31Å; F298-D300 PolarHBondContact O-N 2.83Å; D300-K304 WeakPolarHBondContact O-CG 3.42Å; D300-K304 PolarHBondContact O-N 3.39Å |
| 301 | A | 90.2 | Very high | 85 | Confident | 23 Ų | 23 | 92.9 Ų | 92.9 | 19% | 0.19 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y257 K297 F298 K303 K304 D305 | Y257-A301 HydrophobicContact CD1-CB 3.83Å; Y257-A301 HydrophobicContact CD2-CB 3.57Å; Y257-A301 HydrophobicContact CE1-CB 4.02Å; Y257-A301 HydrophobicContact CE2-CB 3.79Å; Y257-A301 HydrophobicContact CG-CB 3.61Å; K297-A301 WeakPolarHBondContact O-CB 3.25Å; K297-A301 PolarHBondContact O-N 3.18Å; F298-A301 PolarHBondContact O-N 2.93Å; A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 2.87Å; A301-K304 PolarHBondContact O-N 2.87Å; A301-K304 VanDerWaalsContact O-N 3.11Å; A301-D305 PolarHBondContact O-N 2.92Å; A301-D305 VanDerWaalsContact O-N 3.14Å |
| 302 | L | 88.3 | Confident | 84.1 | Confident | 27 Ų | 27 | 100.3 Ų | 100.3 | 14% | 0.141 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 174.5 | -79.8 | 174.8 | 0 | 0 | 0 | 112.5 | Y257 Y260 I281 F298 K304 D305 K306 V316 | Y257-L302 HydrophobicContact CE2-CD2 4.11Å; Y257-L302 HydrophobicContact CE2-CG 4.32Å; Y260-L302 HydrophobicContact CD1-CD2 4.1Å; Y260-L302 HydrophobicContact CE1-CD2 3.63Å; I281-L302 HydrophobicContact CD1-CD1 3.7Å; I281-L302 HydrophobicContact CD1-CD2 4.06Å; F298-L302 HydrophobicContact CD1-CD1 3.77Å; F298-L302 HydrophobicContact CD1-CG 4.32Å; F298-L302 HydrophobicContact CE1-CD1 3.29Å; F298-L302 HydrophobicContact CE1-CG 3.97Å; F298-L302 HydrophobicContact CZ-CD1 3.97Å; F298-L302 HydrophobicContact CZ-CG 4.28Å; F298-L302 PolarHBondContact O-N 3.44Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 2.8Å; L302-D305 PolarHBondContact O-N 2.91Å; L302-K306 PolarHBondContact O-N 3.44Å; L302-V316 HydrophobicContact CD1-CG2 3.91Å |
| 303 | K | 86.8 | Confident | 83.4 | Confident | 133 Ų | 133 | 97.9 Ų | 97.9 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.4 | -33 | 177.8 | -74.4 | 176.6 | 179.7 | -178.1 | 0 | 113 | K299 A301 | K299-K303 WeakPolarHBondContact O-CG 3.11Å; K299-K303 PolarHBondContact O-N 2.98Å; A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 2.87Å |
| 304 | K | 86.3 | Confident | 83 | Confident | 181 Ų | 181 | 95.9 Ų | 95.9 | 79% | 0.787 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -75.1 | -30.6 | 179 | -72.9 | 173.1 | -177.5 | 176.5 | 0 | 113.1 | D300 A301 L302 K306 | D300-K304 WeakPolarHBondContact O-CG 3.42Å; D300-K304 PolarHBondContact O-N 3.39Å; A301-K304 PolarHBondContact O-N 2.87Å; A301-K304 VanDerWaalsContact O-N 3.11Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 2.8Å; K304-K306 VanDerWaalsContact C-N 3.33Å |
| 305 | D | 81.2 | Confident | 82.8 | Confident | 80 Ų | 80 | 97.7 Ų | 97.7 | 43% | 0.428 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -87.7 | -2.6 | -178.6 | -164.8 | 46 | 0 | 0 | 0 | 113.3 | Y257 A301 L302 K307 | Y257-D305 WeakPolarHBondContact OH-CB 3.3Å; Y257-D305 PolarHBondContact OH-OD2 2.6Å; A301-D305 PolarHBondContact O-N 2.92Å; A301-D305 VanDerWaalsContact O-N 3.14Å; L302-D305 PolarHBondContact O-N 2.91Å; D305-K307 PolarHBondContact O-N 2.89Å |
| 306 | K | 73.3 | Confident | 82.9 | Confident | 71 Ų | 71 | 98.5 Ų | 98.5 | 31% | 0.309 | 48% | 0.481 | S | S | . | . | trans | -58 | 113.6 | 170.2 | -79.7 | -159.9 | 167.4 | -148.9 | 0 | 110.5 | L302 K304 A311 D313 | L302-K306 PolarHBondContact O-N 3.44Å; K304-K306 VanDerWaalsContact C-N 3.33Å; K306-A311 PolarHBondContact NZ-O 2.96Å; K306-D313 WeakPolarHBondContact CE-OD1 3.42Å; K306-D313 IonicContact NZ-OD1 3.58Å; K306-D313 PolarHBondContact NZ-OD1 2.83Å | ||
| 307 | K | 65.2 | Low | 83 | Confident | 204 Ų | 204 | 93.7 Ų | 93.7 | 89% | 0.887 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -79.3 | -29.1 | 177 | -66 | -179.5 | -178.1 | 173.3 | 0 | 113.3 | D305 | D305-K307 PolarHBondContact O-N 2.89Š|
| 308 | D | 71.7 | Confident | 83.1 | Confident | 87 Ų | 87 | 90.6 Ų | 90.6 | 47% | 0.465 | 46% | 0.455 | S | S | . | . | trans | -120.5 | 120.5 | 178.7 | -172.3 | -9.3 | 0 | 0 | 0 | 108.9 | F310 A311 | D308-F310 PolarHBondContact O-N 3.25Å; D308-F310 PolarHBondContact OD1-N 2.91Å; D308-A311 HydrophobicContact CB-CB 4.04Å; D308-A311 PolarHBondContact O-N 3.03Å | ||
| 309 | E | 69.1 | Low | 83.3 | Confident | 181 Ų | 181 | 90.6 Ų | 90.6 | 85% | 0.846 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.7 | 179.3 | -69.1 | -172 | 164.7 | 0 | 0 | 112.3 | ||
| 310 | F | 70.6 | Confident | 83.4 | Confident | 188 Ų | 188 | 86.5 Ų | 86.5 | 83% | 0.825 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -7.5 | -178.7 | -60.6 | -77.2 | 0 | 0 | 0 | 114.1 | D308 | D308-F310 PolarHBondContact O-N 3.25Å; D308-F310 PolarHBondContact OD1-N 2.91Å |
| 311 | A | 67.9 | Low | 83.4 | Confident | 48 Ų | 48 | 83 Ų | 83 | 40% | 0.397 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -73.2 | 137.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | K306 D308 | K306-A311 PolarHBondContact NZ-O 2.96Å; D308-A311 HydrophobicContact CB-CB 4.04Å; D308-A311 PolarHBondContact O-N 3.03Å |
| 312 | D | 73.2 | Confident | 83.4 | Confident | 157 Ų | 157 | 88 Ų | 88 | 84% | 0.84 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 141.5 | 176.6 | -71.1 | -44.3 | 0 | 0 | 0 | 111.7 | I314 | D312-I314 PolarHBondContact O-N 3.16Š|
| 313 | D | 79.8 | Confident | 83.6 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 57% | 0.567 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 130.9 | 172.8 | -76 | 16.3 | 0 | 0 | 0 | 109.5 | K306 P315 | K306-D313 WeakPolarHBondContact CE-OD1 3.42Å; K306-D313 IonicContact NZ-OD1 3.58Å; K306-D313 PolarHBondContact NZ-OD1 2.83Å; D313-P315 VanDerWaalsContact O-CD 3.31Å; D313-P315 WeakPolarHBondContact O-CD 3.44Å |
| 314 | I | 84.8 | Confident | 83.8 | Confident | 68 Ų | 68 | 90.1 Ų | 90.1 | 35% | 0.349 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 122.4 | 169.1 | -57.8 | 175.6 | 0 | 0 | 0 | 107.9 | Y260 Q279 I281 D312 V316 | Y260-I314 VanDerWaalsContact OH-CD1 3.23Å; Y260-I314 WeakPolarHBondContact OH-CD1 3.45Å; Q279-I314 WeakPolarHBondContact O-CG2 3.45Å; I281-I314 HydrophobicContact CD1-CB 4.34Å; I281-I314 HydrophobicContact CD1-CG2 3.76Å; I281-I314 HydrophobicContact CG1-CG2 3.78Å; D312-I314 PolarHBondContact O-N 3.16Å; I314-V316 PolarHBondContact O-N 3.14Å |
| 315 | P | 91.2 | Very high | 84.2 | Confident | 59 Ų | 59 | 87.5 Ų | 87.5 | 38% | 0.383 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 131.3 | -179 | -23.8 | 34.2 | 0 | 0 | 0 | 111.6 | I280 I281 D313 F317 | I280-P315 HydrophobicContact CG2-CB 4.48Å; I281-P315 PolarHBondContact N-O 3.33Å; D313-P315 VanDerWaalsContact O-CD 3.31Å; D313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-F317 HydrophobicContact CB-CD2 4.37Å; P315-F317 HydrophobicContact CB-CE2 3.68Å |
| 316 | V | 94.8 | Very high | 84.8 | Confident | 35 Ų | 35 | 85.2 Ų | 85.2 | 21% | 0.212 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.6 | 177.9 | -173.4 | 0 | 0 | 0 | 0 | 110 | I281 A283 L295 L302 I314 | I281-V316 HydrophobicContact CB-CG1 4.43Å; I281-V316 HydrophobicContact CB-CG2 4.19Å; I281-V316 HydrophobicContact CD1-CG2 4.25Å; I281-V316 HydrophobicContact CG2-CG1 4.26Å; I281-V316 WeakPolarHBondContact O-CA 3.41Å; A283-V316 HydrophobicContact CB-CG1 4.3Å; L295-V316 HydrophobicContact CD1-CG1 4.16Å; L302-V316 HydrophobicContact CD1-CG2 3.91Å; I314-V316 PolarHBondContact O-N 3.14Å |
| 317 | F | 96.5 | Very high | 85.8 | Confident | 46 Ų | 46 | 82.3 Ų | 82.3 | 20% | 0.202 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.3 | 176.8 | -67.6 | -90.6 | 0 | 0 | 0 | 110.7 | I280 I281 A283 P315 I319 N329 L330 A333 | I280-F317 HydrophobicContact CG2-CD2 3.46Å; I280-F317 VanDerWaalsContact CG2-CD2 3.46Å; I280-F317 HydrophobicContact CG2-CE2 3.81Å; I281-F317 PolarHBondContact O-N 3.23Å; A283-F317 PolarHBondContact N-O 2.98Å; P315-F317 HydrophobicContact CB-CD2 4.37Å; P315-F317 HydrophobicContact CB-CE2 3.68Å; F317-I319 HydrophobicContact CB-CG2 4.44Å; F317-N329 HydrophobicContact CD1-CB 4.22Å; F317-N329 HydrophobicContact CE1-CB 4.19Å; F317-L330 HydrophobicContact CB-CB 4.16Å; F317-L330 HydrophobicContact CB-CD1 4.13Å; F317-L330 HydrophobicContact CD1-CB 4.39Å; F317-L330 HydrophobicContact CD2-CD1 4.01Å; F317-L330 HydrophobicContact CG-CB 4.2Å; F317-L330 HydrophobicContact CG-CD1 4.13Å; F317-A333 HydrophobicContact CE1-CB 3.97Å; F317-A333 HydrophobicContact CE2-CB 3.79Å; F317-A333 HydrophobicContact CZ-CB 3.24Å |
| 318 | A | 96.7 | Very high | 87.1 | Confident | 44 Ų | 44 | 77.5 Ų | 77.5 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A283 M286 L295 | A283-A318 WeakPolarHBondContact O-CA 3.28Å; M286-A318 HydrophobicContact CG-CB 4.01Å; M286-A318 HydrophobicContact SD-CB 4.38Å; L295-A318 HydrophobicContact CD2-CB 3.79Å |
| 319 | I | 96.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | trans | -133.6 | 162.9 | -177.1 | 71.6 | 160.6 | 0 | 0 | 0 | 112 | I176 V282 A283 N284 K285 M286 F317 Q325 L327 L330 | I176-I319 HydrophobicContact CD1-CD1 3.84Å; I176-I319 HydrophobicContact CG1-CD1 3.97Å; V282-I319 HydrophobicContact CG1-CD1 3.27Å; V282-I319 HydrophobicContact CG1-CG1 3.6Å; A283-I319 PolarHBondContact O-N 3.21Å; N284-I319 WeakPolarHBondContact CA-O 3.29Å; N284-I319 HydrophobicContact CB-CD1 4.5Å; N284-I319 HydrophobicContact CB-CG1 4.16Å; K285-I319 PolarHBondContact N-O 3.1Å; M286-I319 WeakPolarHBondContact CB-O 3.08Å; M286-I319 VanDerWaalsContact CG-O 3.24Å; M286-I319 WeakPolarHBondContact CG-O 3.37Å; M286-I319 PolarHBondContact N-O 2.81Å; F317-I319 HydrophobicContact CB-CG2 4.44Å; I319-Q325 VanDerWaalsContact CA-O 3.29Å; I319-Q325 WeakPolarHBondContact CA-O 3.39Å; I319-Q325 WeakPolarHBondContact CB-O 3.44Å; I319-L327 HydrophobicContact CB-CD2 4.4Å; I319-L327 HydrophobicContact CD1-CD2 3.77Å; I319-L330 HydrophobicContact CD1-CD2 4.17Å; I319-L330 HydrophobicContact CG2-CB 4.38Å; I319-L330 HydrophobicContact CG2-CD2 4.19Å | ||
| 320 | S | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -132.1 | 109.5 | 160.9 | 166.8 | 0 | 0 | 0 | 0 | 108.3 | D287 I322 T323 K324 Q325 | D287-S320 VanDerWaalsContact OD1-CB 3.25Å; D287-S320 WeakPolarHBondContact OD1-CB 3.24Å; D287-S320 PolarHBondContact OD1-OG 3.12Å; S320-I322 PolarHBondContact O-N 3.25Å; S320-T323 WeakPolarHBondContact CB-OG1 3.34Å; S320-T323 PolarHBondContact O-N 3.02Å; S320-T323 PolarHBondContact OG-N 2.8Å; S320-T323 PolarHBondContact OG-OG1 3.17Å; S320-K324 WeakPolarHBondContact O-CA 3.36Å; S320-K324 PolarHBondContact O-N 2.74Å; S320-Q325 PolarHBondContact N-O 3.39Å; S320-Q325 PolarHBondContact O-N 3.06Å; S320-Q325 VanDerWaalsContact O-N 3.09Å |
| 321 | A | 91.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -35.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T175 I176 N284 | T175-A321 HydrophobicContact CG2-CB 4.02Å; I176-A321 HydrophobicContact CG1-CB 3.61Å; N284-A321 PolarHBondContact OD1-N 3.44Å |
| 322 | I | 89.8 | Confident | 92 | Very high | 127 Ų | 127 | 60.7 Ų | 60.7 | 65% | 0.651 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -47.9 | -178.5 | -64.2 | 175.8 | 0 | 0 | 0 | 110.7 | S320 K324 | S320-I322 PolarHBondContact O-N 3.25Å; I322-K324 VanDerWaalsContact C-N 3.25Å; I322-K324 PolarHBondContact O-N 3.3Å |
| 323 | T | 92.2 | Very high | 93 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.9 | 179.9 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | D287 S320 Q325 | D287-T323 HydrophobicContact CB-CG2 3.96Å; S320-T323 WeakPolarHBondContact CB-OG1 3.34Å; S320-T323 PolarHBondContact O-N 3.02Å; S320-T323 PolarHBondContact OG-N 2.8Å; S320-T323 PolarHBondContact OG-OG1 3.17Å; T323-Q325 PolarHBondContact O-N 2.97Å; T323-Q325 VanDerWaalsContact OG1-CG 3.31Å; T323-Q325 WeakPolarHBondContact OG1-CG 3.35Å |
| 324 | K | 92.5 | Very high | 93.7 | Very high | 144 Ų | 144 | 49.3 Ų | 49.3 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 30.5 | -176.5 | -51.3 | -170.2 | 179.6 | -173.1 | 0 | 113.8 | V179 S320 I322 L327 | V179-K324 HydrophobicContact CG1-CD 4.02Å; V179-K324 HydrophobicContact CG1-CG 3.86Å; S320-K324 WeakPolarHBondContact O-CA 3.36Å; S320-K324 PolarHBondContact O-N 2.74Å; I322-K324 VanDerWaalsContact C-N 3.25Å; I322-K324 PolarHBondContact O-N 3.3Å; K324-L327 HydrophobicContact CB-CD1 4.03Å |
| 325 | Q | 93.5 | Very high | 94 | Very high | 126 Ų | 126 | 46.3 Ų | 46.3 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | B | Isolated β-bridge | trans | -92 | 141.2 | -179.8 | -66.9 | 179.4 | 9.8 | 0 | 0 | 111.3 | I319 S320 T323 L327 | I319-Q325 VanDerWaalsContact CA-O 3.29Å; I319-Q325 WeakPolarHBondContact CA-O 3.39Å; I319-Q325 WeakPolarHBondContact CB-O 3.44Å; S320-Q325 PolarHBondContact N-O 3.39Å; S320-Q325 PolarHBondContact O-N 3.06Å; S320-Q325 VanDerWaalsContact O-N 3.09Å; T323-Q325 PolarHBondContact O-N 2.97Å; T323-Q325 VanDerWaalsContact OG1-CG 3.31Å; T323-Q325 WeakPolarHBondContact OG1-CG 3.35Å; Q325-L327 PolarHBondContact O-N 2.97Å |
| 326 | G | 93.8 | Very high | 94.1 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 76.1 | -2.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L330 | G326-L330 PolarHBondContact O-N 2.8Š|
| 327 | L | 94.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -48.5 | -175.7 | -64.9 | 175.9 | 0 | 0 | 0 | 112.3 | V179 I180 I319 K324 Q325 N329 L330 L331 | V179-L327 HydrophobicContact CG1-CD1 3.52Å; I180-L327 HydrophobicContact CG2-CD1 4.3Å; I180-L327 HydrophobicContact CG2-CD2 4.08Å; I319-L327 HydrophobicContact CB-CD2 4.4Å; I319-L327 HydrophobicContact CD1-CD2 3.77Å; K324-L327 HydrophobicContact CB-CD1 4.03Å; Q325-L327 PolarHBondContact O-N 2.97Å; L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.49Å; L327-L330 WeakPolarHBondContact O-CA 3.49Å; L327-L330 WeakPolarHBondContact O-CB 3.35Å; L327-L330 PolarHBondContact O-N 2.78Å; L327-L331 WeakPolarHBondContact O-CG 3.49Å; L327-L331 PolarHBondContact O-N 2.81Å |
| 328 | D | 93.7 | Very high | 93.6 | Very high | 102 Ų | 102 | 46 Ų | 46 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57 | -43.3 | -174.8 | -62.9 | -19 | 0 | 0 | 0 | 112.7 | L330 L331 N332 | D328-L330 PolarHBondContact O-N 2.79Å; D328-L331 PolarHBondContact O-N 2.81Å; D328-N332 WeakPolarHBondContact O-CB 3.31Å; D328-N332 VanDerWaalsContact O-CG 3.27Å; D328-N332 PolarHBondContact O-N 2.8Å; D328-N332 PolarHBondContact O-ND2 2.88Å |
| 329 | N | 94.1 | Very high | 93.1 | Very high | 109 Ų | 109 | 50 Ų | 50 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 177.3 | -70.2 | -12.6 | 0 | 0 | 0 | 112.1 | F317 L327 A333 | F317-N329 HydrophobicContact CD1-CB 4.22Å; F317-N329 HydrophobicContact CE1-CB 4.19Å; L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.49Å; N329-A333 VanDerWaalsContact O-CB 3.3Å; N329-A333 WeakPolarHBondContact O-CB 3.46Å; N329-A333 PolarHBondContact O-N 2.74Å; N329-A333 VanDerWaalsContact O-N 3.1Å |
| 330 | L | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 174.3 | 168.6 | 64.4 | 0 | 0 | 0 | 110.7 | L243 I280 V282 F317 I319 G326 L327 D328 T334 | L243-L330 HydrophobicContact CD2-CD1 4.2Å; I280-L330 HydrophobicContact CG2-CD1 3.8Å; V282-L330 HydrophobicContact CG1-CD2 3.89Å; V282-L330 HydrophobicContact CG2-CD1 3.72Å; V282-L330 HydrophobicContact CG2-CD2 3.84Å; V282-L330 HydrophobicContact CG2-CG 4.45Å; F317-L330 HydrophobicContact CB-CB 4.16Å; F317-L330 HydrophobicContact CB-CD1 4.13Å; F317-L330 HydrophobicContact CD1-CB 4.39Å; F317-L330 HydrophobicContact CD2-CD1 4.01Å; F317-L330 HydrophobicContact CG-CB 4.2Å; F317-L330 HydrophobicContact CG-CD1 4.13Å; I319-L330 HydrophobicContact CD1-CD2 4.17Å; I319-L330 HydrophobicContact CG2-CB 4.38Å; I319-L330 HydrophobicContact CG2-CD2 4.19Å; G326-L330 PolarHBondContact O-N 2.8Å; L327-L330 WeakPolarHBondContact O-CA 3.49Å; L327-L330 WeakPolarHBondContact O-CB 3.35Å; L327-L330 PolarHBondContact O-N 2.78Å; D328-L330 PolarHBondContact O-N 2.79Å; L330-T334 WeakPolarHBondContact O-CB 3.49Å; L330-T334 PolarHBondContact O-N 2.66Å; L330-T334 PolarHBondContact O-OG1 2.89Å |
| 331 | L | 95.5 | Very high | 92 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -44.7 | -176.9 | -61.8 | -172.5 | 0 | 0 | 0 | 112 | I180 V202 T204 F210 L327 D328 T334 A335 | I180-L331 HydrophobicContact CB-CD1 4.21Å; I180-L331 HydrophobicContact CB-CD2 4.21Å; I180-L331 HydrophobicContact CD1-CD2 4.06Å; I180-L331 HydrophobicContact CG2-CD1 4.2Å; I180-L331 HydrophobicContact CG2-CD2 4.06Å; V202-L331 HydrophobicContact CG1-CD1 3.68Å; V202-L331 HydrophobicContact CG1-CD2 3.75Å; V202-L331 HydrophobicContact CG1-CG 4.16Å; T204-L331 HydrophobicContact CG2-CB 4.17Å; F210-L331 HydrophobicContact CZ-CD2 4.29Å; L327-L331 WeakPolarHBondContact O-CG 3.49Å; L327-L331 PolarHBondContact O-N 2.81Å; D328-L331 PolarHBondContact O-N 2.81Å; L331-T334 PolarHBondContact O-N 2.85Å; L331-A335 PolarHBondContact O-N 2.76Å |
| 332 | N | 94.8 | Very high | 91.1 | Very high | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.171 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 177.4 | -67.9 | -24.7 | 0 | 0 | 0 | 111.2 | T204 S205 D328 T334 A335 D336 | T204-N332 WeakPolarHBondContact CB-OD1 3.5Å; S205-N332 PolarHBondContact OG-ND2 2.85Å; S205-N332 PolarHBondContact OG-OD1 3.17Å; D328-N332 WeakPolarHBondContact O-CB 3.31Å; D328-N332 VanDerWaalsContact O-CG 3.27Å; D328-N332 PolarHBondContact O-N 2.8Å; D328-N332 PolarHBondContact O-ND2 2.88Å; N332-T334 VanDerWaalsContact C-N 3.29Å; N332-T334 PolarHBondContact O-N 2.69Å; N332-A335 PolarHBondContact O-N 3.44Å; N332-D336 PolarHBondContact O-N 2.84Å |
| 333 | A | 94.1 | Very high | 89.8 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -33.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | F317 N329 L337 | F317-A333 HydrophobicContact CE1-CB 3.97Å; F317-A333 HydrophobicContact CE2-CB 3.79Å; F317-A333 HydrophobicContact CZ-CB 3.24Å; N329-A333 VanDerWaalsContact O-CB 3.3Å; N329-A333 WeakPolarHBondContact O-CB 3.46Å; N329-A333 PolarHBondContact O-N 2.74Å; N329-A333 VanDerWaalsContact O-N 3.1Å; A333-L337 WeakPolarHBondContact O-CB 3.31Å; A333-L337 PolarHBondContact O-N 3.38Å |
| 334 | T | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 173.9 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | V163 F210 V241 L243 L330 L331 N332 L337 L338 | V163-T334 HydrophobicContact CG1-CG2 4.21Å; V163-T334 HydrophobicContact CG2-CG2 3.7Å; F210-T334 HydrophobicContact CE2-CG2 4.1Å; F210-T334 HydrophobicContact CZ-CG2 3.93Å; V241-T334 HydrophobicContact CG1-CG2 4.35Å; L243-T334 HydrophobicContact CD2-CG2 4.28Å; L330-T334 WeakPolarHBondContact O-CB 3.49Å; L330-T334 PolarHBondContact O-N 2.66Å; L330-T334 PolarHBondContact O-OG1 2.89Å; L331-T334 PolarHBondContact O-N 2.85Å; N332-T334 VanDerWaalsContact C-N 3.29Å; N332-T334 PolarHBondContact O-N 2.69Å; T334-L337 PolarHBondContact O-N 3.45Å; T334-L338 HydrophobicContact CG2-CD1 4.47Å; T334-L338 WeakPolarHBondContact O-CG 3.4Å; T334-L338 PolarHBondContact O-N 2.88Å |
| 335 | A | 92.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T204 F210 L331 N332 L337 L338 E339 | T204-A335 HydrophobicContact CG2-CB 3.74Å; F210-A335 HydrophobicContact CD1-CB 4.36Å; F210-A335 HydrophobicContact CE1-CB 4.24Å; L331-A335 PolarHBondContact O-N 2.76Å; N332-A335 PolarHBondContact O-N 3.44Å; A335-L337 VanDerWaalsContact C-N 3.27Å; A335-L337 PolarHBondContact O-N 2.71Å; A335-L338 WeakPolarHBondContact O-CB 3.24Å; A335-L338 PolarHBondContact O-N 3.23Å; A335-E339 PolarHBondContact O-N 2.87Å |
| 336 | D | 92.8 | Very high | 84 | Confident | 81 Ų | 81 | 53 Ų | 53 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 174.6 | -63.2 | -21 | 0 | 0 | 0 | 111.2 | R208 N332 E339 | R208-D336 IonicContact CZ-OD1 2.74Å; R208-D336 IonicContact NH1-OD1 2.66Å; R208-D336 PolarHBondContact NH1-OD1 3.3Å; R208-D336 IonicContact NH2-OD1 3.39Å; R208-D336 PolarHBondContact NH2-OD1 3.37Å; N332-D336 PolarHBondContact O-N 2.84Å; D336-E339 PolarHBondContact O-N 3Å |
| 337 | L | 91.2 | Very high | 81.5 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | 178.5 | -168.6 | 58.9 | 0 | 0 | 0 | 111.9 | V241 P278 I280 A333 T334 A335 E339 V340 T341 | V241-L337 HydrophobicContact CG1-CD2 3.91Å; V241-L337 HydrophobicContact CG2-CB 4.33Å; V241-L337 HydrophobicContact CG2-CD2 4Å; V241-L337 HydrophobicContact CG2-CG 3.9Å; P278-L337 HydrophobicContact CB-CD1 3.88Å; P278-L337 HydrophobicContact CB-CD2 3.63Å; P278-L337 HydrophobicContact CB-CG 3.88Å; P278-L337 HydrophobicContact CG-CD1 4.4Å; I280-L337 HydrophobicContact CD1-CD2 3.7Å; I280-L337 HydrophobicContact CG1-CD2 3.69Å; A333-L337 WeakPolarHBondContact O-CB 3.31Å; A333-L337 PolarHBondContact O-N 3.38Å; T334-L337 PolarHBondContact O-N 3.45Å; A335-L337 VanDerWaalsContact C-N 3.27Å; A335-L337 PolarHBondContact O-N 2.71Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.36Å; L337-V340 HydrophobicContact CD1-CG2 4.23Å; L337-V340 WeakPolarHBondContact O-CG2 3.43Å; L337-V340 PolarHBondContact O-N 2.85Å; L337-T341 VanDerWaalsContact O-CB 3.27Å; L337-T341 WeakPolarHBondContact O-CB 3.44Å; L337-T341 PolarHBondContact O-N 3.43Å; L337-T341 PolarHBondContact O-OG1 3.42Å |
| 338 | L | 88.8 | Confident | 78.9 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 174.4 | -77.2 | 171 | 0 | 0 | 0 | 112.4 | D162 V163 F210 R240 V241 T334 A335 V340 | D162-L338 HydrophobicContact CB-CD1 4.12Å; D162-L338 HydrophobicContact CB-CD2 3.95Å; V163-L338 HydrophobicContact CG2-CD1 3.7Å; V163-L338 HydrophobicContact CG2-CD2 4.15Å; V163-L338 HydrophobicContact CG2-CG 4.22Å; F210-L338 HydrophobicContact CB-CD1 3.57Å; F210-L338 HydrophobicContact CD1-CD1 3.99Å; F210-L338 HydrophobicContact CD2-CD1 4.04Å; F210-L338 HydrophobicContact CG-CD1 3.61Å; R240-L338 HydrophobicContact CB-CD2 3.87Å; R240-L338 PolarHBondContact NH2-O 3.48Å; V241-L338 HydrophobicContact CB-CD2 4.21Å; V241-L338 HydrophobicContact CG2-CD2 3.75Å; V241-L338 HydrophobicContact CG2-CG 4.08Å; T334-L338 HydrophobicContact CG2-CD1 4.47Å; T334-L338 WeakPolarHBondContact O-CG 3.4Å; T334-L338 PolarHBondContact O-N 2.88Å; A335-L338 WeakPolarHBondContact O-CB 3.24Å; A335-L338 PolarHBondContact O-N 3.23Å; L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 PolarHBondContact O-N 3.03Å |
| 339 | E | 86.5 | Confident | 76.1 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.2 | -35.5 | 178.7 | -77 | 175.6 | -164.4 | 0 | 0 | 112.8 | R208 A335 D336 L337 | R208-E339 WeakPolarHBondContact CD-OE1 3.4Å; R208-E339 IonicContact CZ-OE1 2.69Å; R208-E339 IonicContact NE-OE1 2.89Å; R208-E339 IonicContact NH1-OE1 2.79Å; R208-E339 PolarHBondContact NH1-OE1 3.39Å; R208-E339 IonicContact NH1-OE2 3.17Å; A335-E339 PolarHBondContact O-N 2.87Å; D336-E339 PolarHBondContact O-N 3Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.36Å |
| 340 | V | 86.7 | Confident | 73.3 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 69% | 0.685 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -93.6 | -16.6 | -177.1 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | L337 L338 P342 | L337-V340 HydrophobicContact CD1-CG2 4.23Å; L337-V340 WeakPolarHBondContact O-CG2 3.43Å; L337-V340 PolarHBondContact O-N 2.85Å; L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 PolarHBondContact O-N 3.03Å; V340-P342 WeakPolarHBondContact O-CD 3.48Å |
| 341 | T | 83.5 | Confident | 70.3 | Confident | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.043 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -88.9 | 112.4 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | R240 P278 L337 F344 | R240-T341 HydrophobicContact CB-CG2 4.19Å; R240-T341 PolarHBondContact NE-O 3.1Å; R240-T341 PolarHBondContact NH2-O 2.7Å; P278-T341 HydrophobicContact CG-CG2 3.78Å; L337-T341 VanDerWaalsContact O-CB 3.27Å; L337-T341 WeakPolarHBondContact O-CB 3.44Å; L337-T341 PolarHBondContact O-N 3.43Å; L337-T341 PolarHBondContact O-OG1 3.42Å; T341-F344 HydrophobicContact CG2-CE2 4Å |
| 342 | P | 71.5 | Confident | 67.2 | Low | 96 Ų | 96 | 85.2 Ų | 85.2 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | trans | -60.9 | 161.9 | 179.1 | 26.5 | -34.5 | 0 | 0 | 0 | 112.5 | V340 | V340-P342 WeakPolarHBondContact O-CD 3.48Š| ||
| 343 | E | 64.1 | Low | 64.2 | Low | 93 Ų | 93 | 91.2 Ų | 91.2 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | trans | -69 | 138.4 | 172.1 | -54.5 | -154.7 | 159.7 | 0 | 0 | 110.5 | R55 L345 | R55-E343 IonicContact NH2-OE1 3.53Å; E343-L345 PolarHBondContact O-N 2.92Å | ||
| 344 | F | 60.6 | Low | 61.3 | Low | 40 Ų | 40 | 96.5 Ų | 96.5 | 18% | 0.175 | 49% | 0.486 | C | S | . | . | trans | -85.7 | 103.6 | 175.3 | -68.7 | -91 | 0 | 0 | 0 | 108.7 | E276 R277 T341 L346 | E276-F344 HydrophobicContact CB-CE1 4.2Å; R277-F344 HydrophobicContact CB-CE2 4.23Å; R277-F344 HydrophobicContact CB-CZ 4.27Å; R277-F344 HydrophobicContact CG-CD2 4.13Å; R277-F344 HydrophobicContact CG-CE1 4.27Å; R277-F344 HydrophobicContact CG-CE2 3.65Å; R277-F344 HydrophobicContact CG-CZ 3.73Å; T341-F344 HydrophobicContact CG2-CE2 4Å; F344-L346 PolarHBondContact O-N 3.14Å | ||
| 345 | L | 49.5 | Very low | 58.7 | Low | 129 Ų | 129 | 100.7 Ų | 100.7 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | trans | -63.9 | 128.2 | 171.3 | -64.6 | 172.3 | 0 | 0 | 0 | 109.4 | E343 | E343-L345 PolarHBondContact O-N 2.92Š| ||
| 346 | L | 45.3 | Very low | 56.1 | Low | 50 Ų | 50 | 104.2 Ų | 104.2 | 26% | 0.262 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -82.3 | -17.6 | -175.1 | -70.7 | 169.3 | 0 | 0 | 0 | 114.3 | E237 R238 F344 | E237-L346 HydrophobicContact CB-CD1 3.72Å; E237-L346 HydrophobicContact CB-CD2 3.35Å; E237-L346 HydrophobicContact CB-CG 4.13Å; E237-L346 HydrophobicContact CG-CD2 3.46Å; E237-L346 VanDerWaalsContact CG-CD2 3.46Å; E237-L346 VanDerWaalsContact OE2-CD2 3.31Å; E237-L346 WeakPolarHBondContact OE2-CD2 3.1Å; R238-L346 HydrophobicContact CG-CD1 3.75Å; F344-L346 PolarHBondContact O-N 3.14Å |
| 347 | Y | 41.7 | Very low | 53.7 | Low | 143 Ų | 143 | 105.6 Ų | 105.6 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -138.4 | 140.9 | 175.7 | -56.7 | -78.2 | 0 | 0 | 0 | 107.4 | E349 | Y347-E349 PolarHBondContact O-N 3.16Š|
| 348 | D | 39.2 | Very low | 51.5 | Low | 162 Ų | 162 | 110.2 Ų | 110.2 | 87% | 0.866 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -55.6 | 132.7 | 155.1 | -67.6 | -41.4 | 0 | 0 | 0 | 106.3 | E350 | D348-E350 PolarHBondContact O-N 2.96Š|
| 349 | E | 36.1 | Very low | 49.2 | Very low | 181 Ų | 181 | 112.7 Ų | 112.7 | 85% | 0.846 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -42.9 | 93.8 | -176.3 | -66.7 | 171.5 | 164.6 | 0 | 0 | 112.1 | Y347 | Y347-E349 PolarHBondContact O-N 3.16Š|
| 350 | E | 33.7 | Very low | 47.3 | Very low | 183 Ų | 183 | 113.1 Ų | 113.1 | 86% | 0.855 | 59% | 0.585 | S | S | * | * | trans | -171.2 | 50.9 | 168.1 | -109.7 | 177.3 | -137.7 | 0 | 0 | 110.2 | D348 | D348-E350 PolarHBondContact O-N 2.96Š| ||
| 351 | V | 34.1 | Very low | 45.4 | Very low | 88 Ų | 88 | 115.9 Ų | 115.9 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | trans | -123.8 | 90.2 | 146 | -166.7 | 0 | 0 | 0 | 0 | 105.2 | E353 | V351-E353 HydrophobicContact CG1-CG 3.67Å; V351-E353 PolarHBondContact O-N 2.86Å | ||
| 352 | E | 30 | Very low | 44 | Very low | 184 Ų | 184 | 117.6 Ų | 117.6 | 86% | 0.86 | 60% | 0.602 | S | S | * | * | trans | -59.9 | 81.7 | 156.1 | -70.3 | -179.6 | 159.7 | 0 | 0 | 106.1 | D354 | E352-D354 PolarHBondContact O-N 2.9Š| ||
| 353 | E | 32.8 | Very low | 43.2 | Very low | 157 Ų | 157 | 120.9 Ų | 120.9 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | trans | -69.9 | 97.7 | 156.7 | -75 | -164.7 | 169.2 | 0 | 0 | 104.3 | V351 T355 | V351-E353 HydrophobicContact CG1-CG 3.67Å; V351-E353 PolarHBondContact O-N 2.86Å; E353-T355 PolarHBondContact O-N 2.92Å | ||
| 354 | D | 33.3 | Very low | 43.2 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -31.7 | 114.5 | 164.6 | -80.1 | -44.2 | 0 | 0 | 0 | 107.5 | E352 V356 | E352-D354 PolarHBondContact O-N 2.9Å; D354-V356 VanDerWaalsContact O-CG2 3.28Å; D354-V356 WeakPolarHBondContact O-CG2 3.33Å; D354-V356 PolarHBondContact O-N 3.18Å | ||
| 355 | T | 38.5 | Very low | 43.8 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 54% | 0.54 | 64% | 0.64 | S | S | . | * | trans | -58.6 | 98.2 | 171.8 | -30.7 | 0 | 0 | 0 | 0 | 105.1 | E353 N357 | E353-T355 PolarHBondContact O-N 2.92Å; T355-N357 PolarHBondContact O-N 3.41Å | ||
| 356 | V | 38.5 | Very low | 45.3 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | trans | -76 | 80.8 | -179.3 | -170.7 | 0 | 0 | 0 | 0 | 105.7 | D354 Y358 | D354-V356 VanDerWaalsContact O-CG2 3.28Å; D354-V356 WeakPolarHBondContact O-CG2 3.33Å; D354-V356 PolarHBondContact O-N 3.18Å; V356-Y358 HydrophobicContact CB-CE2 4.08Å; V356-Y358 HydrophobicContact CG1-CD1 3.91Å; V356-Y358 HydrophobicContact CG1-CD2 4.15Å; V356-Y358 HydrophobicContact CG1-CE1 3.61Å; V356-Y358 HydrophobicContact CG1-CE2 3.87Å; V356-Y358 HydrophobicContact CG1-CG 4.17Å; V356-Y358 VanDerWaalsContact O-CD2 3.24Å; V356-Y358 WeakPolarHBondContact O-CD2 3.42Å; V356-Y358 PolarHBondContact O-N 3.45Å | ||
| 357 | N | 42.5 | Very low | 47.3 | Very low | 109 Ų | 109 | 122 Ų | 122 | 58% | 0.583 | 62% | 0.623 | S | S | * | * | trans | -62.2 | 96.8 | 160.8 | -78.1 | -30.5 | 0 | 0 | 0 | 105.3 | T355 G359 | T355-N357 PolarHBondContact O-N 3.41Å; N357-G359 PolarHBondContact O-N 2.97Å | ||
| 358 | Y | 44.6 | Very low | 49.6 | Very low | 136 Ų | 136 | 117.8 Ų | 117.8 | 53% | 0.533 | 61% | 0.612 | S | S | . | * | trans | -66.8 | 83.9 | 166.5 | -62 | -82.8 | 0 | 0 | 0 | 106.2 | L105 V356 F360 | L105-Y358 HydrophobicContact CD2-CD2 4.35Å; L105-Y358 HydrophobicContact CD2-CE2 3.77Å; L105-Y358 HydrophobicContact CG-CD2 4.43Å; L105-Y358 HydrophobicContact CG-CE2 4.33Å; V356-Y358 HydrophobicContact CB-CE2 4.08Å; V356-Y358 HydrophobicContact CG1-CD1 3.91Å; V356-Y358 HydrophobicContact CG1-CD2 4.15Å; V356-Y358 HydrophobicContact CG1-CE1 3.61Å; V356-Y358 HydrophobicContact CG1-CE2 3.87Å; V356-Y358 HydrophobicContact CG1-CG 4.17Å; V356-Y358 VanDerWaalsContact O-CD2 3.24Å; V356-Y358 WeakPolarHBondContact O-CD2 3.42Å; V356-Y358 PolarHBondContact O-N 3.45Å; Y358-F360 PolarHBondContact O-N 2.87Å | ||
| 359 | G | 41.2 | Very low | 52.1 | Low | 64 Ų | 64 | 110.7 Ų | 110.7 | 66% | 0.66 | 57% | 0.574 | S | S | * | * | trans | -61 | 93.1 | 168 | 0 | 0 | 0 | 0 | 0 | 106.9 | N357 Q361 | N357-G359 PolarHBondContact O-N 2.97Å; G359-Q361 PolarHBondContact O-N 3.39Å | ||
| 360 | F | 46.4 | Very low | 54.7 | Low | 138 Ų | 138 | 105.6 Ų | 105.6 | 61% | 0.605 | 56% | 0.555 | S | S | * | * | trans | -57.7 | 104.6 | 174.3 | 179.4 | -100.7 | 0 | 0 | 0 | 107.6 | Y358 | Y358-F360 PolarHBondContact O-N 2.87Š| ||
| 361 | Q | 47.4 | Very low | 57.5 | Low | 170 Ų | 170 | 103.8 Ų | 103.8 | 79% | 0.794 | 54% | 0.541 | S | S | * | . | trans | -88.2 | 104.7 | 165.9 | -70 | -176.3 | -0.1 | 0 | 0 | 105.7 | G359 N363 | G359-Q361 PolarHBondContact O-N 3.39Å; Q361-N363 PolarHBondContact O-N 3.3Å; Q361-N363 VanDerWaalsContact O-N 3.1Å | ||
| 362 | S | 52.9 | Low | 60.1 | Low | 43 Ų | 43 | 103.3 Ų | 103.3 | 30% | 0.301 | 53% | 0.533 | S | S | . | . | trans | -58.1 | 117.8 | 173 | 52.7 | 0 | 0 | 0 | 0 | 108.2 | E364 E382 | S362-E364 PolarHBondContact O-N 3.39Å; S362-E364 VanDerWaalsContact O-N 3.16Å; S362-E382 PolarHBondContact OG-OE2 2.85Å | ||
| 363 | N | 54 | Low | 62.7 | Low | 166 Ų | 166 | 101.3 Ų | 101.3 | 89% | 0.888 | 54% | 0.535 | S | S | * | . | trans | -78.6 | 22.9 | 168.7 | -84.9 | -27.3 | 0 | 0 | 0 | 111 | Q361 | Q361-N363 PolarHBondContact O-N 3.3Å; Q361-N363 VanDerWaalsContact O-N 3.1Å | ||
| 364 | E | 65.3 | Low | 65.4 | Low | 125 Ų | 125 | 97.9 Ų | 97.9 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | trans | -73.7 | 141 | -177.2 | -69.3 | -171.3 | 179.4 | 0 | 0 | 110.2 | S362 | S362-E364 PolarHBondContact O-N 3.39Å; S362-E364 VanDerWaalsContact O-N 3.16Å | ||
| 365 | P | 73.2 | Confident | 67.9 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | trans | -57.5 | 142.7 | 173.6 | 24.6 | -32.6 | 0 | 0 | 0 | 110 | F367 T368 | P365-F367 PolarHBondContact O-N 2.92Å; P365-T368 HydrophobicContact CG-CG2 3.82Å | ||
| 366 | E | 80.4 | Confident | 70.4 | Confident | 90 Ų | 90 | 89.8 Ų | 89.8 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -55.7 | -26.9 | -175.6 | -59.3 | -158.9 | 162.6 | 0 | 0 | 113.6 | K383 M409 | E366-K383 HydrophobicContact CB-CD 4.17Å; E366-K383 HydrophobicContact CG-CD 4.07Å; E366-K383 IonicContact OE1-NZ 2.8Å; E366-K383 PolarHBondContact OE1-NZ 3.01Å; E366-K383 IonicContact OE2-NZ 3.95Å; E366-K383 PolarHBondContact OE2-NZ 3.02Å; E366-M409 HydrophobicContact CB-CE 4.15Å |
| 367 | F | 88.2 | Confident | 72.9 | Confident | 35 Ų | 35 | 86.5 Ų | 86.5 | 15% | 0.154 | 46% | 0.461 | C | S | . | . | trans | -156.8 | 159 | 169.4 | 62.5 | -83 | 0 | 0 | 0 | 110.6 | P365 I369 S380 L384 M409 V411 A414 | P365-F367 PolarHBondContact O-N 2.92Å; F367-I369 HydrophobicContact CD2-CD1 4.36Å; F367-I369 HydrophobicContact CD2-CG1 3.91Å; F367-I369 HydrophobicContact CE2-CD1 3.94Å; F367-I369 HydrophobicContact CE2-CG1 3.93Å; F367-S380 CarbonylContact C-O 3.54Å; F367-S380 WeakPolarHBondContact CA-O 3.47Å; F367-L384 HydrophobicContact CB-CB 4.2Å; F367-L384 HydrophobicContact CB-CD2 3.96Å; F367-M409 HydrophobicContact CD1-CE 4.28Å; F367-M409 WeakPolarHBondContact CE1-O 3.15Å; F367-V411 HydrophobicContact CD1-CG2 4Å; F367-V411 HydrophobicContact CD2-CG2 4.3Å; F367-V411 HydrophobicContact CE1-CG2 3.91Å; F367-V411 HydrophobicContact CE2-CG2 4.21Å; F367-V411 HydrophobicContact CG-CG2 4.2Å; F367-V411 HydrophobicContact CZ-CG2 4.01Å; F367-A414 HydrophobicContact CE2-CB 3.63Å; F367-A414 HydrophobicContact CZ-CB 3.71Å | ||
| 368 | T | 89.7 | Confident | 75.3 | Confident | 54 Ų | 54 | 82.4 Ų | 82.4 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 154.5 | 167.2 | 75.8 | 0 | 0 | 0 | 0 | 109.8 | P365 L379 S380 | P365-T368 HydrophobicContact CG-CG2 3.82Å; T368-L379 WeakPolarHBondContact O-CA 3.32Å; T368-S380 PolarHBondContact N-O 3.21Å; T368-S380 PolarHBondContact O-N 3.14Å; T368-S380 PolarHBondContact OG1-OG 3.03Å |
| 369 | I | 91.1 | Very high | 77.6 | Confident | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.062 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.8 | 177.4 | -45.6 | -169.3 | 0 | 0 | 0 | 107.9 | F367 W377 V378 L379 A414 L415 R418 | F367-I369 HydrophobicContact CD2-CD1 4.36Å; F367-I369 HydrophobicContact CD2-CG1 3.91Å; F367-I369 HydrophobicContact CE2-CD1 3.94Å; F367-I369 HydrophobicContact CE2-CG1 3.93Å; I369-W377 HydrophobicContact CG2-CE3 3.71Å; I369-W377 HydrophobicContact CG2-CZ3 4.35Å; I369-V378 WeakPolarHBondContact CA-O 3.46Å; I369-L379 HydrophobicContact CB-CD2 4.23Å; I369-L379 HydrophobicContact CD1-CD2 3.79Å; I369-L379 HydrophobicContact CG1-CD2 3.56Å; I369-L379 HydrophobicContact CG2-CD2 4.1Å; I369-A414 HydrophobicContact CD1-CB 3.78Å; I369-L415 HydrophobicContact CD1-CD2 3.81Å; I369-L415 HydrophobicContact CD1-CG 3.85Å; I369-L415 HydrophobicContact CG2-CD2 3.89Å; I369-R418 VanDerWaalsContact CG1-NH1 3.27Å |
| 370 | T | 91.7 | Very high | 79.8 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 168.9 | 171.3 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | V378 | T370-V378 PolarHBondContact N-O 2.81Å; T370-V378 PolarHBondContact O-N 3.24Å |
| 371 | R | 90.9 | Very high | 81.8 | Confident | 146 Ų | 146 | 68.6 Ų | 68.6 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.8 | 179.5 | -166.8 | 173.1 | -169.7 | 177.6 | 5.5 | 109.5 | W377 | R371-W377 HydrophobicContact CB-CE3 4.33Å; R371-W377 HydrophobicContact CB-CZ3 4.33Å; R371-W377 HydrophobicContact CG-CE3 4.45Å |
| 372 | E | 88.9 | Confident | 83.6 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -88.5 | 164.9 | -180 | -85.9 | -169.3 | -155.5 | 0 | 0 | 112.9 | D374 A375 T376 V378 R427 | E372-D374 WeakPolarHBondContact CB-OD1 3.47Å; E372-D374 PolarHBondContact O-N 3.06Å; E372-A375 WeakPolarHBondContact O-CA 3.46Å; E372-A375 PolarHBondContact O-N 3.03Å; E372-T376 PolarHBondContact N-O 3.42Å; E372-V378 HydrophobicContact CB-CG2 4.43Å; E372-V378 HydrophobicContact CG-CG2 3.74Å; E372-V378 WeakPolarHBondContact OE1-CG2 3.38Å; E372-R427 IonicContact OE1-NH1 3.82Å; E372-R427 PolarHBondContact OE1-NH1 3.25Å; E372-R427 IonicContact OE2-CZ 2.89Å; E372-R427 IonicContact OE2-NH1 2.6Å; E372-R427 PolarHBondContact OE2-NH1 2.91Å | ||
| 373 | P | 85.7 | Confident | 85.2 | Confident | 141 Ų | 141 | 68.6 Ų | 68.6 | 92% | 0.916 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.4 | -179.7 | -23.7 | 34.7 | 0 | 0 | 0 | 114.7 | A375 | P373-A375 PolarHBondContact O-N 3.45Š|
| 374 | D | 88.3 | Confident | 86.9 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 4.6 | 174.6 | 66.8 | -12 | 0 | 0 | 0 | 113.1 | E372 T376 R427 | E372-D374 WeakPolarHBondContact CB-OD1 3.47Å; E372-D374 PolarHBondContact O-N 3.06Å; D374-T376 PolarHBondContact O-N 3.44Å; D374-T376 WeakPolarHBondContact OD1-CB 3.38Å; D374-T376 PolarHBondContact OD1-N 3.44Å; D374-T376 PolarHBondContact OD1-OG1 2.77Å; D374-T376 VanDerWaalsContact OD1-OG1 3.13Å; D374-T376 WeakPolarHBondContact OD2-CB 3.33Å; D374-T376 PolarHBondContact OD2-OG1 3.01Å; D374-R427 IonicContact OD2-CZ 3.82Å; D374-R427 IonicContact OD2-NH2 3.88Å; D374-R427 PolarHBondContact OD2-NH2 2.8Å |
| 375 | A | 86.3 | Confident | 88.1 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 69.7 | 8.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E372 P373 | E372-A375 WeakPolarHBondContact O-CA 3.46Å; E372-A375 PolarHBondContact O-N 3.03Å; P373-A375 PolarHBondContact O-N 3.45Å |
| 376 | T | 90.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | trans | -72.2 | 136 | 174.9 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | E372 D374 L425 R427 | E372-T376 PolarHBondContact N-O 3.42Å; D374-T376 PolarHBondContact O-N 3.44Å; D374-T376 WeakPolarHBondContact OD1-CB 3.38Å; D374-T376 PolarHBondContact OD1-N 3.44Å; D374-T376 PolarHBondContact OD1-OG1 2.77Å; D374-T376 VanDerWaalsContact OD1-OG1 3.13Å; D374-T376 WeakPolarHBondContact OD2-CB 3.33Å; D374-T376 PolarHBondContact OD2-OG1 3.01Å; T376-L425 HydrophobicContact CG2-CB 3.99Å; T376-R427 HydrophobicContact CG2-CB 3.8Å | ||
| 377 | W | 91.8 | Very high | 89.2 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 4% | 0.038 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 123.6 | 171.9 | -63.7 | 101.1 | 0 | 0 | 0 | 109.7 | I369 R371 L415 R418 A420 D424 L425 V426 R427 | I369-W377 HydrophobicContact CG2-CE3 3.71Å; I369-W377 HydrophobicContact CG2-CZ3 4.35Å; R371-W377 HydrophobicContact CB-CE3 4.33Å; R371-W377 HydrophobicContact CB-CZ3 4.33Å; R371-W377 HydrophobicContact CG-CE3 4.45Å; W377-L415 HydrophobicContact CB-CD2 3.86Å; W377-L415 HydrophobicContact CD2-CD2 4.1Å; W377-L415 HydrophobicContact CE3-CD2 4.36Å; W377-L415 HydrophobicContact CG-CD2 3.89Å; W377-R418 HydrophobicContact CH2-CB 3.79Å; W377-R418 VanDerWaalsContact CH2-O 3.31Å; W377-R418 WeakPolarHBondContact CH2-O 3.33Å; W377-R418 HydrophobicContact CZ3-CB 3.79Å; W377-A420 HydrophobicContact CD2-CB 4.43Å; W377-A420 HydrophobicContact CZ2-CB 4.05Å; W377-D424 PolarHBondContact NE1-OD2 2.72Å; W377-L425 PolarHBondContact N-O 2.86Å; W377-V426 HydrophobicContact CB-CG2 4.25Å; W377-V426 CarbonylContact O-C 3.4Å; W377-V426 VanDerWaalsContact O-CA 3.28Å; W377-V426 WeakPolarHBondContact O-CA 3.19Å; W377-R427 PolarHBondContact O-N 2.96Å |
| 378 | V | 92.5 | Very high | 89.4 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.4 | 179.2 | -179 | 0 | 0 | 0 | 0 | 109.2 | I369 T370 E372 R427 | I369-V378 WeakPolarHBondContact CA-O 3.46Å; T370-V378 PolarHBondContact N-O 2.81Å; T370-V378 PolarHBondContact O-N 3.24Å; E372-V378 HydrophobicContact CB-CG2 4.43Å; E372-V378 HydrophobicContact CG-CG2 3.74Å; E372-V378 WeakPolarHBondContact OE1-CG2 3.38Å; V378-R427 HydrophobicContact CG2-CB 4.39Å |
| 379 | L | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.8 | 173.4 | -56.4 | 175.2 | 0 | 0 | 0 | 109 | T368 I369 L384 V411 L415 V426 R427 I428 F433 | T368-L379 WeakPolarHBondContact O-CA 3.32Å; I369-L379 HydrophobicContact CB-CD2 4.23Å; I369-L379 HydrophobicContact CD1-CD2 3.79Å; I369-L379 HydrophobicContact CG1-CD2 3.56Å; I369-L379 HydrophobicContact CG2-CD2 4.1Å; L379-L384 HydrophobicContact CB-CD2 3.5Å; L379-L384 HydrophobicContact CD1-CD2 4.31Å; L379-L384 HydrophobicContact CG-CD2 4.48Å; L379-V411 HydrophobicContact CD1-CG1 3.59Å; L379-V411 HydrophobicContact CD2-CG1 4.07Å; L379-L415 HydrophobicContact CD2-CD2 4.28Å; L379-L415 HydrophobicContact CD2-CG 4.49Å; L379-V426 HydrophobicContact CD1-CG1 3.51Å; L379-V426 HydrophobicContact CG-CG1 3.7Å; L379-R427 PolarHBondContact N-O 2.82Å; L379-I428 HydrophobicContact CB-CG1 3.89Å; L379-I428 HydrophobicContact CD1-CD1 4.04Å; L379-I428 HydrophobicContact CD1-CG1 3.91Å; L379-I428 HydrophobicContact CG-CG1 4.38Å; L379-F433 HydrophobicContact CD1-CZ 4.36Å |
| 380 | S | 88.7 | Confident | 89.6 | Confident | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 163.6 | 177.1 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | F367 T368 | F367-S380 CarbonylContact C-O 3.54Å; F367-S380 WeakPolarHBondContact CA-O 3.47Å; T368-S380 PolarHBondContact N-O 3.21Å; T368-S380 PolarHBondContact O-N 3.14Å; T368-S380 PolarHBondContact OG1-OG 3.03Å |
| 381 | G | 87.8 | Confident | 89.5 | Confident | 13 Ų | 13 | 54 Ų | 54 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | trans | 138.8 | 141.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K383 L384 E385 | G381-K383 VanDerWaalsContact C-N 3.34Å; G381-K383 PolarHBondContact O-N 3.42Å; G381-L384 PolarHBondContact O-N 2.86Å; G381-L384 VanDerWaalsContact O-N 3.14Å; G381-E385 PolarHBondContact N-OE1 3.48Å; G381-E385 WeakPolarHBondContact O-CB 3.43Å; G381-E385 WeakPolarHBondContact O-CG 3.34Å; G381-E385 PolarHBondContact O-N 2.87Å | ||
| 382 | E | 85 | Confident | 89.3 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.8 | -48.6 | -169.3 | -169 | -170.3 | 173.2 | 0 | 0 | 112.4 | S362 K386 | S362-E382 PolarHBondContact OG-OE2 2.85Å; E382-K386 WeakPolarHBondContact O-CB 3.12Å; E382-K386 PolarHBondContact O-N 3.11Å |
| 383 | K | 86.6 | Confident | 89.1 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 45% | 0.452 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.1 | -42.5 | -178.7 | -168.8 | -176.3 | -178.9 | -166.4 | 0 | 112.3 | E366 G381 L387 M409 | E366-K383 HydrophobicContact CB-CD 4.17Å; E366-K383 HydrophobicContact CG-CD 4.07Å; E366-K383 IonicContact OE1-NZ 2.8Å; E366-K383 PolarHBondContact OE1-NZ 3.01Å; E366-K383 IonicContact OE2-NZ 3.95Å; E366-K383 PolarHBondContact OE2-NZ 3.02Å; G381-K383 VanDerWaalsContact C-N 3.34Å; G381-K383 PolarHBondContact O-N 3.42Å; K383-L387 WeakPolarHBondContact O-CB 3.45Å; K383-L387 PolarHBondContact O-N 3.07Å; K383-M409 HydrophobicContact CD-CE 4.46Å |
| 384 | L | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67 | -47.1 | 178.4 | 177.9 | 68.2 | 0 | 0 | 0 | 111.5 | F367 L379 G381 K386 L387 F388 L406 M409 I428 | F367-L384 HydrophobicContact CB-CB 4.2Å; F367-L384 HydrophobicContact CB-CD2 3.96Å; L379-L384 HydrophobicContact CB-CD2 3.5Å; L379-L384 HydrophobicContact CD1-CD2 4.31Å; L379-L384 HydrophobicContact CG-CD2 4.48Å; G381-L384 PolarHBondContact O-N 2.86Å; G381-L384 VanDerWaalsContact O-N 3.14Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 3.5Å; L384-L387 WeakPolarHBondContact O-CB 3.37Å; L384-L387 PolarHBondContact O-N 2.9Å; L384-F388 WeakPolarHBondContact O-CB 3.24Å; L384-F388 PolarHBondContact O-N 2.87Å; L384-L406 HydrophobicContact CD1-CD2 3.26Å; L384-M409 HydrophobicContact CB-CE 4.35Å; L384-M409 HydrophobicContact CD1-CE 4.41Å; L384-I428 HydrophobicContact CD1-CD1 4.45Å; L384-I428 HydrophobicContact CD2-CG1 4.45Å |
| 385 | E | 90.3 | Very high | 88.8 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 179.3 | -72.8 | 175.7 | -155.3 | 0 | 0 | 111.8 | G381 F388 K389 | G381-E385 PolarHBondContact N-OE1 3.48Å; G381-E385 WeakPolarHBondContact O-CB 3.43Å; G381-E385 WeakPolarHBondContact O-CG 3.34Å; G381-E385 PolarHBondContact O-N 2.87Å; E385-F388 PolarHBondContact O-N 2.86Å; E385-K389 WeakPolarHBondContact O-CB 3.46Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.5Å; E385-K389 PolarHBondContact O-N 3.08Å |
| 386 | K | 88.4 | Confident | 88.7 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 171.8 | -179.2 | 179.6 | -174.3 | 166.3 | 0 | 111.1 | E146 E382 L384 F388 K389 M390 | E146-K386 VanDerWaalsContact CD-NZ 3.32Å; E146-K386 VanDerWaalsContact CG-CE 3.49Å; E146-K386 HydrophobicContact CG-CG 4.45Å; E146-K386 WeakPolarHBondContact OE1-CE 3.3Å; E146-K386 IonicContact OE1-NZ 2.84Å; E146-K386 PolarHBondContact OE1-NZ 2.78Å; E146-K386 IonicContact OE2-NZ 3.26Å; E382-K386 WeakPolarHBondContact O-CB 3.12Å; E382-K386 PolarHBondContact O-N 3.11Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 3.5Å; K386-F388 VanDerWaalsContact C-N 3.33Å; K386-F388 PolarHBondContact O-N 3.05Å; K386-K389 PolarHBondContact O-N 3.13Å; K386-M390 HydrophobicContact CG-SD 4.16Å; K386-M390 WeakPolarHBondContact O-CB 3.36Å; K386-M390 VanDerWaalsContact O-CG 3.25Å; K386-M390 WeakPolarHBondContact O-CG 3.33Å; K386-M390 PolarHBondContact O-N 3.19Å |
| 387 | L | 89.6 | Confident | 88.4 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.6 | -178.8 | 68.6 | 0 | 0 | 0 | 111.5 | K383 L384 M390 T391 F402 Q405 M409 | K383-L387 WeakPolarHBondContact O-CB 3.45Å; K383-L387 PolarHBondContact O-N 3.07Å; L384-L387 WeakPolarHBondContact O-CB 3.37Å; L384-L387 PolarHBondContact O-N 2.9Å; L387-M390 PolarHBondContact O-N 2.69Å; L387-T391 PolarHBondContact O-N 3Å; L387-T391 VanDerWaalsContact O-N 3.12Å; L387-T391 PolarHBondContact O-OG1 3.28Å; L387-F402 HydrophobicContact CB-CE2 4.49Å; L387-F402 HydrophobicContact CD2-CD2 4.03Å; L387-F402 HydrophobicContact CD2-CE2 3.87Å; L387-F402 HydrophobicContact CG-CD2 3.98Å; L387-F402 HydrophobicContact CG-CE2 3.85Å; L387-Q405 HydrophobicContact CD2-CB 3.78Å; L387-M409 HydrophobicContact CD2-SD 4.03Å |
| 388 | F | 92.3 | Very high | 88 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 177.1 | 175.7 | -96.3 | 0 | 0 | 0 | 111.9 | L384 E385 K386 M390 T391 F393 F402 I428 D429 F431 | L384-F388 WeakPolarHBondContact O-CB 3.24Å; L384-F388 PolarHBondContact O-N 2.87Å; E385-F388 PolarHBondContact O-N 2.86Å; K386-F388 VanDerWaalsContact C-N 3.33Å; K386-F388 PolarHBondContact O-N 3.05Å; F388-M390 VanDerWaalsContact C-N 3.26Å; F388-M390 PolarHBondContact O-N 3.12Å; F388-T391 WeakPolarHBondContact O-CB 3.35Å; F388-T391 PolarHBondContact O-N 3.28Å; F388-F393 AromaticContact CD2-CE2 3.6Å; F388-F393 HydrophobicContact CD2-CE2 3.6Å; F388-F393 AromaticContact CD2-CZ 3.43Å; F388-F393 HydrophobicContact CD2-CZ 3.43Å; F388-F393 VanDerWaalsContact CD2-CZ 3.43Å; F388-F393 HydrophobicContact CE2-CD2 4.29Å; F388-F393 HydrophobicContact CE2-CE1 4.27Å; F388-F393 AromaticContact CE2-CE2 3.3Å; F388-F393 HydrophobicContact CE2-CE2 3.3Å; F388-F393 AromaticContact CE2-CZ 3.3Å; F388-F393 HydrophobicContact CE2-CZ 3.3Å; F388-F393 HydrophobicContact CG-CE2 4.35Å; F388-F393 HydrophobicContact CG-CZ 4.48Å; F388-F393 AromaticContact CZ-CE2 3.84Å; F388-F393 HydrophobicContact CZ-CE2 3.84Å; F388-F393 HydrophobicContact CZ-CZ 4.27Å; F388-F402 HydrophobicContact CB-CE2 4.19Å; F388-F402 HydrophobicContact CB-CZ 4.12Å; F388-F402 HydrophobicContact CD2-CE1 4.27Å; F388-F402 AromaticContact CD2-CZ 3.9Å; F388-F402 HydrophobicContact CD2-CZ 3.9Å; F388-I428 HydrophobicContact CB-CG2 3.92Å; F388-I428 HydrophobicContact CD1-CG2 4.17Å; F388-I428 HydrophobicContact CD2-CB 4.25Å; F388-I428 HydrophobicContact CD2-CG2 3.93Å; F388-I428 HydrophobicContact CG-CG2 3.72Å; F388-D429 HydrophobicContact CE1-CB 4.31Å; F388-F431 HydrophobicContact CE2-CB 3.49Å; F388-F431 VanDerWaalsContact CE2-CB 3.49Å; F388-F431 AromaticContact CE2-CD1 3.98Å; F388-F431 HydrophobicContact CE2-CD1 3.98Å; F388-F431 AromaticContact CE2-CG 3.77Å; F388-F431 HydrophobicContact CE2-CG 3.77Å; F388-F431 HydrophobicContact CZ-CB 3.37Å; F388-F431 HydrophobicContact CZ-CG 4.05Å |
| 389 | K | 91.4 | Very high | 87.7 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -33.6 | 178.1 | -73 | 168.3 | -178.5 | 164.5 | 0 | 112.8 | N144 P147 E385 K386 T391 | N144-K389 WeakPolarHBondContact CB-O 3.33Å; N144-K389 PolarHBondContact ND2-O 2.76Å; P147-K389 HydrophobicContact CG-CD 4.16Å; E385-K389 WeakPolarHBondContact O-CB 3.46Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.5Å; E385-K389 PolarHBondContact O-N 3.08Å; K386-K389 PolarHBondContact O-N 3.13Å; K389-T391 VanDerWaalsContact C-N 3.29Å |
| 390 | M | 91.9 | Very high | 87.4 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.2 | -11.2 | 176.3 | -70.4 | -174.9 | 78.3 | 0 | 0 | 113.7 | E143 N144 E146 K386 L387 F388 | E143-M390 WeakPolarHBondContact CA-O 3.5Å; N144-M390 PolarHBondContact N-O 3.38Å; E146-M390 HydrophobicContact CB-CE 3.99Å; E146-M390 HydrophobicContact CB-CG 4.4Å; E146-M390 HydrophobicContact CB-SD 3.93Å; E146-M390 HydrophobicContact CG-SD 3.94Å; K386-M390 HydrophobicContact CG-SD 4.16Å; K386-M390 WeakPolarHBondContact O-CB 3.36Å; K386-M390 VanDerWaalsContact O-CG 3.25Å; K386-M390 WeakPolarHBondContact O-CG 3.33Å; K386-M390 PolarHBondContact O-N 3.19Å; L387-M390 PolarHBondContact O-N 2.69Å; F388-M390 VanDerWaalsContact C-N 3.26Å; F388-M390 PolarHBondContact O-N 3.12Å |
| 391 | T | 90.9 | Very high | 87.3 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -86.9 | 124.1 | -179.7 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | N144 L387 F388 K389 F393 T398 F402 | N144-T391 PolarHBondContact ND2-O 3.5Å; L387-T391 PolarHBondContact O-N 3Å; L387-T391 VanDerWaalsContact O-N 3.12Å; L387-T391 PolarHBondContact O-OG1 3.28Å; F388-T391 WeakPolarHBondContact O-CB 3.35Å; F388-T391 PolarHBondContact O-N 3.28Å; K389-T391 VanDerWaalsContact C-N 3.29Å; T391-F393 HydrophobicContact CG2-CD1 4.34Å; T391-F393 HydrophobicContact CG2-CD2 4.17Å; T391-F393 HydrophobicContact CG2-CE1 3.92Å; T391-F393 HydrophobicContact CG2-CE2 3.75Å; T391-F393 HydrophobicContact CG2-CG 4.44Å; T391-F393 HydrophobicContact CG2-CZ 3.59Å; T391-F393 WeakPolarHBondContact O-CD2 2.92Å; T391-F393 PolarHBondContact O-N 3.27Å; T391-T398 HydrophobicContact CG2-CG2 3.65Å; T391-F402 HydrophobicContact CG2-CB 3.73Å; T391-F402 HydrophobicContact CG2-CD2 4.15Å; T391-F402 HydrophobicContact CG2-CG 4Å; T391-F402 WeakPolarHBondContact OG1-CD2 3.47Å |
| 392 | N | 85.6 | Confident | 87.4 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | trans | -87.1 | 105.9 | 172.1 | -176 | -6.2 | 0 | 0 | 0 | 110.6 | D394 T398 | N392-D394 PolarHBondContact O-N 3.27Å; N392-D394 VanDerWaalsContact OD1-CB 3.27Å; N392-D394 WeakPolarHBondContact OD1-CB 3.28Å; N392-D394 VanDerWaalsContact OD1-CG 3.28Å; N392-D394 PolarHBondContact OD1-N 2.91Å; N392-D394 PolarHBondContact OD1-OD2 3.18Å; N392-T398 HydrophobicContact CB-CG2 4.41Å; N392-T398 WeakPolarHBondContact O-CB 3.44Å; N392-T398 WeakPolarHBondContact O-CG2 3.32Å; N392-T398 PolarHBondContact O-OG1 3.08Å | ||
| 393 | F | 85.6 | Confident | 87.5 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 23% | 0.232 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 0.7 | -177.9 | -68.5 | -86.2 | 0 | 0 | 0 | 114.8 | F388 T391 H395 V399 F402 F431 | F388-F393 AromaticContact CD2-CE2 3.6Å; F388-F393 HydrophobicContact CD2-CE2 3.6Å; F388-F393 AromaticContact CD2-CZ 3.43Å; F388-F393 HydrophobicContact CD2-CZ 3.43Å; F388-F393 VanDerWaalsContact CD2-CZ 3.43Å; F388-F393 HydrophobicContact CE2-CD2 4.29Å; F388-F393 HydrophobicContact CE2-CE1 4.27Å; F388-F393 AromaticContact CE2-CE2 3.3Å; F388-F393 HydrophobicContact CE2-CE2 3.3Å; F388-F393 AromaticContact CE2-CZ 3.3Å; F388-F393 HydrophobicContact CE2-CZ 3.3Å; F388-F393 HydrophobicContact CG-CE2 4.35Å; F388-F393 HydrophobicContact CG-CZ 4.48Å; F388-F393 AromaticContact CZ-CE2 3.84Å; F388-F393 HydrophobicContact CZ-CE2 3.84Å; F388-F393 HydrophobicContact CZ-CZ 4.27Å; T391-F393 HydrophobicContact CG2-CD1 4.34Å; T391-F393 HydrophobicContact CG2-CD2 4.17Å; T391-F393 HydrophobicContact CG2-CE1 3.92Å; T391-F393 HydrophobicContact CG2-CE2 3.75Å; T391-F393 HydrophobicContact CG2-CG 4.44Å; T391-F393 HydrophobicContact CG2-CZ 3.59Å; T391-F393 WeakPolarHBondContact O-CD2 2.92Å; T391-F393 PolarHBondContact O-N 3.27Å; F393-H395 PolarHBondContact O-N 3.5Å; F393-V399 HydrophobicContact CD1-CG2 3.97Å; F393-F402 AromaticContact CE1-CD1 3.96Å; F393-F402 HydrophobicContact CE1-CD1 3.96Å; F393-F402 HydrophobicContact CE1-CE1 4.34Å; F393-F402 HydrophobicContact CE1-CG 4.45Å; F393-F402 AromaticContact CZ-CD1 3.99Å; F393-F402 HydrophobicContact CZ-CD1 3.99Å; F393-F402 HydrophobicContact CZ-CE1 4.07Å; F393-F402 HydrophobicContact CZ-CG 4.32Å; F393-F402 HydrophobicContact CZ-CZ 4.48Å; F393-F431 HydrophobicContact CD1-CE2 4.35Å; F393-F431 HydrophobicContact CD1-CZ 4.26Å; F393-F431 HydrophobicContact CE1-CE1 4.36Å; F393-F431 HydrophobicContact CE1-CZ 4.32Å |
| 394 | D | 84.9 | Confident | 87.6 | Confident | 139 Ų | 139 | 59.3 Ų | 59.3 | 74% | 0.743 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.6 | 179.2 | -65.5 | -21.3 | 0 | 0 | 0 | 113.5 | N392 | N392-D394 PolarHBondContact O-N 3.27Å; N392-D394 VanDerWaalsContact OD1-CB 3.27Å; N392-D394 WeakPolarHBondContact OD1-CB 3.28Å; N392-D394 VanDerWaalsContact OD1-CG 3.28Å; N392-D394 PolarHBondContact OD1-N 2.91Å; N392-D394 PolarHBondContact OD1-OD2 3.18Å |
| 395 | H | 82.9 | Confident | 87.6 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -127.6 | 129 | -176.4 | -62.3 | -79.1 | 0 | 0 | 0 | 112.2 | E140 F393 E397 T398 V399 | E140-H395 WeakPolarHBondContact O-CB 3.15Å; F393-H395 PolarHBondContact O-N 3.5Å; H395-E397 VanDerWaalsContact C-N 3.25Å; H395-E397 PolarHBondContact O-N 2.99Å; H395-T398 WeakPolarHBondContact O-CB 3.14Å; H395-T398 PolarHBondContact O-N 3.23Å; H395-V399 PolarHBondContact O-N 3.4Å |
| 396 | D | 83.8 | Confident | 87.6 | Confident | 135 Ų | 135 | 59 Ų | 59 | 72% | 0.722 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -55.3 | -38.3 | -179.6 | -68.7 | -16.8 | 0 | 0 | 0 | 113 | T398 V399 M400 | D396-T398 VanDerWaalsContact C-N 3.26Å; D396-T398 PolarHBondContact O-N 2.99Å; D396-V399 PolarHBondContact O-N 3.29Å; D396-M400 WeakPolarHBondContact O-CG 3.24Å; D396-M400 PolarHBondContact O-N 2.99Å |
| 397 | E | 84.2 | Confident | 87.6 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 178.1 | -171.3 | 176 | -176.1 | 0 | 0 | 111.7 | N136 E140 H395 M400 R401 | N136-E397 PolarHBondContact ND2-OE1 3.44Å; N136-E397 PolarHBondContact ND2-OE2 2.9Å; N136-E397 VanDerWaalsContact ND2-OE2 3.15Å; E140-E397 PolarHBondContact N-OE2 2.63Å; H395-E397 VanDerWaalsContact C-N 3.25Å; H395-E397 PolarHBondContact O-N 2.99Å; E397-M400 PolarHBondContact O-N 2.9Å; E397-R401 WeakPolarHBondContact O-CB 3.28Å; E397-R401 PolarHBondContact O-N 2.67Å |
| 398 | T | 83.6 | Confident | 87.5 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.6 | -47.1 | 0 | 0 | 0 | 0 | 111.8 | L141 T391 N392 H395 D396 M400 R401 F402 | L141-T398 HydrophobicContact CD1-CG2 3.47Å; L141-T398 VanDerWaalsContact CD1-CG2 3.47Å; L141-T398 WeakPolarHBondContact CD1-OG1 3.1Å; T391-T398 HydrophobicContact CG2-CG2 3.65Å; N392-T398 HydrophobicContact CB-CG2 4.41Å; N392-T398 WeakPolarHBondContact O-CB 3.44Å; N392-T398 WeakPolarHBondContact O-CG2 3.32Å; N392-T398 PolarHBondContact O-OG1 3.08Å; H395-T398 WeakPolarHBondContact O-CB 3.14Å; H395-T398 PolarHBondContact O-N 3.23Å; D396-T398 VanDerWaalsContact C-N 3.26Å; D396-T398 PolarHBondContact O-N 2.99Å; T398-M400 PolarHBondContact O-N 2.75Å; T398-R401 PolarHBondContact O-N 2.94Å; T398-F402 PolarHBondContact O-N 2.86Å |
| 399 | V | 85.6 | Confident | 87.4 | Confident | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | F393 H395 D396 R401 F402 A403 | F393-V399 HydrophobicContact CD1-CG2 3.97Å; H395-V399 PolarHBondContact O-N 3.4Å; D396-V399 PolarHBondContact O-N 3.29Å; V399-R401 VanDerWaalsContact C-N 3.32Å; V399-R401 PolarHBondContact O-N 2.72Å; V399-F402 PolarHBondContact O-N 2.97Å; V399-A403 PolarHBondContact O-N 2.89Å |
| 400 | M | 87 | Confident | 87.3 | Confident | 116 Ų | 116 | 61.1 Ų | 61.1 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 176.8 | -70 | -165.2 | -173.8 | 0 | 0 | 112.6 | D396 E397 T398 R404 | D396-M400 WeakPolarHBondContact O-CG 3.24Å; D396-M400 PolarHBondContact O-N 2.99Å; E397-M400 PolarHBondContact O-N 2.9Å; T398-M400 PolarHBondContact O-N 2.75Å; M400-R404 WeakPolarHBondContact O-CG 3.49Å; M400-R404 PolarHBondContact O-N 3.03Å; M400-R404 VanDerWaalsContact O-N 3.08Å |
| 401 | R | 86.4 | Confident | 87.2 | Confident | 56 Ų | 56 | 60 Ų | 60 | 21% | 0.211 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 175.3 | -178.5 | 177.7 | 171.8 | -141.5 | -8.7 | 111.3 | E143 E397 T398 V399 A403 R404 Q405 | E143-R401 IonicContact OE1-CZ 2.67Å; E143-R401 VanDerWaalsContact OE1-CZ 3.26Å; E143-R401 IonicContact OE1-NH1 3.27Å; E143-R401 PolarHBondContact OE1-NH1 2.88Å; E143-R401 IonicContact OE1-NH2 3.51Å; E143-R401 PolarHBondContact OE1-NH2 3.41Å; E397-R401 WeakPolarHBondContact O-CB 3.28Å; E397-R401 PolarHBondContact O-N 2.67Å; T398-R401 PolarHBondContact O-N 2.94Å; V399-R401 VanDerWaalsContact C-N 3.32Å; V399-R401 PolarHBondContact O-N 2.72Å; R401-A403 PolarHBondContact O-N 2.87Å; R401-R404 WeakPolarHBondContact O-CB 3.09Å; R401-R404 PolarHBondContact O-N 2.99Å; R401-Q405 WeakPolarHBondContact O-CG 3.13Å; R401-Q405 PolarHBondContact O-N 2.97Å |
| 402 | F | 89.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 176 | -179.7 | -110.8 | 0 | 0 | 0 | 111.4 | L387 F388 T391 F393 T398 V399 R404 Q405 L406 I428 | L387-F402 HydrophobicContact CB-CE2 4.49Å; L387-F402 HydrophobicContact CD2-CD2 4.03Å; L387-F402 HydrophobicContact CD2-CE2 3.87Å; L387-F402 HydrophobicContact CG-CD2 3.98Å; L387-F402 HydrophobicContact CG-CE2 3.85Å; F388-F402 HydrophobicContact CB-CE2 4.19Å; F388-F402 HydrophobicContact CB-CZ 4.12Å; F388-F402 HydrophobicContact CD2-CE1 4.27Å; F388-F402 AromaticContact CD2-CZ 3.9Å; F388-F402 HydrophobicContact CD2-CZ 3.9Å; T391-F402 HydrophobicContact CG2-CB 3.73Å; T391-F402 HydrophobicContact CG2-CD2 4.15Å; T391-F402 HydrophobicContact CG2-CG 4Å; T391-F402 WeakPolarHBondContact OG1-CD2 3.47Å; F393-F402 AromaticContact CE1-CD1 3.96Å; F393-F402 HydrophobicContact CE1-CD1 3.96Å; F393-F402 HydrophobicContact CE1-CE1 4.34Å; F393-F402 HydrophobicContact CE1-CG 4.45Å; F393-F402 AromaticContact CZ-CD1 3.99Å; F393-F402 HydrophobicContact CZ-CD1 3.99Å; F393-F402 HydrophobicContact CZ-CE1 4.07Å; F393-F402 HydrophobicContact CZ-CG 4.32Å; F393-F402 HydrophobicContact CZ-CZ 4.48Å; T398-F402 PolarHBondContact O-N 2.86Å; V399-F402 PolarHBondContact O-N 2.97Å; F402-R404 VanDerWaalsContact C-N 3.3Å; F402-R404 PolarHBondContact O-N 2.99Å; F402-Q405 WeakPolarHBondContact O-CA 3.18Å; F402-Q405 WeakPolarHBondContact O-CB 3.33Å; F402-Q405 PolarHBondContact O-N 3.22Å; F402-L406 HydrophobicContact CD1-CD1 4.12Å; F402-L406 HydrophobicContact CD1-CG 4.37Å; F402-L406 HydrophobicContact CE1-CD1 3.65Å; F402-L406 HydrophobicContact CE1-CD2 4.27Å; F402-L406 HydrophobicContact CE1-CG 4.05Å; F402-L406 HydrophobicContact CE2-CD2 4.18Å; F402-L406 HydrophobicContact CE2-CG 4.49Å; F402-L406 HydrophobicContact CZ-CD1 4.09Å; F402-L406 HydrophobicContact CZ-CD2 3.84Å; F402-L406 HydrophobicContact CZ-CG 4.11Å; F402-L406 PolarHBondContact O-N 2.94Å; F402-I428 HydrophobicContact CE1-CD1 4.02Å; F402-I428 HydrophobicContact CZ-CD1 3.79Å |
| 403 | A | 87.7 | Confident | 87.4 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.6 | -38.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | V399 R401 Q405 R407 | V399-A403 PolarHBondContact O-N 2.89Å; R401-A403 PolarHBondContact O-N 2.87Å; A403-Q405 VanDerWaalsContact C-N 3.33Å; A403-R407 PolarHBondContact O-N 3.4Å; A403-R407 VanDerWaalsContact O-N 3.14Å |
| 404 | R | 89 | Confident | 87.6 | Confident | 167 Ų | 167 | 64.3 Ų | 64.3 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.8 | -35.2 | 173.1 | -71.1 | 171.9 | -177.2 | 167.2 | 4.5 | 112.3 | M400 R401 F402 S408 | M400-R404 WeakPolarHBondContact O-CG 3.49Å; M400-R404 PolarHBondContact O-N 3.03Å; M400-R404 VanDerWaalsContact O-N 3.08Å; R401-R404 WeakPolarHBondContact O-CB 3.09Å; R401-R404 PolarHBondContact O-N 2.99Å; F402-R404 VanDerWaalsContact C-N 3.3Å; F402-R404 PolarHBondContact O-N 2.99Å; R404-S408 PolarHBondContact O-N 2.75Å |
| 405 | Q | 89.9 | Confident | 87.9 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 177.2 | -70.6 | 173.5 | -61.4 | 0 | 0 | 111.5 | L387 R401 F402 A403 R407 S408 M409 | L387-Q405 HydrophobicContact CD2-CB 3.78Å; R401-Q405 WeakPolarHBondContact O-CG 3.13Å; R401-Q405 PolarHBondContact O-N 2.97Å; F402-Q405 WeakPolarHBondContact O-CA 3.18Å; F402-Q405 WeakPolarHBondContact O-CB 3.33Å; F402-Q405 PolarHBondContact O-N 3.22Å; A403-Q405 VanDerWaalsContact C-N 3.33Å; Q405-R407 VanDerWaalsContact C-N 3.33Å; Q405-R407 PolarHBondContact O-N 2.76Å; Q405-S408 WeakPolarHBondContact CA-OG 3.41Å; Q405-S408 PolarHBondContact O-N 3.39Å; Q405-S408 VanDerWaalsContact O-N 3.1Å; Q405-S408 PolarHBondContact O-OG 3.35Å; Q405-M409 WeakPolarHBondContact O-CG 3.32Å; Q405-M409 PolarHBondContact O-N 3.18Å |
| 406 | L | 89.4 | Confident | 88.3 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.4 | -46.3 | 172.6 | -65.5 | -175.9 | 0 | 0 | 0 | 111.9 | L384 F402 S408 M409 G410 V411 I428 F433 | L384-L406 HydrophobicContact CD1-CD2 3.26Å; F402-L406 HydrophobicContact CD1-CD1 4.12Å; F402-L406 HydrophobicContact CD1-CG 4.37Å; F402-L406 HydrophobicContact CE1-CD1 3.65Å; F402-L406 HydrophobicContact CE1-CD2 4.27Å; F402-L406 HydrophobicContact CE1-CG 4.05Å; F402-L406 HydrophobicContact CE2-CD2 4.18Å; F402-L406 HydrophobicContact CE2-CG 4.49Å; F402-L406 HydrophobicContact CZ-CD1 4.09Å; F402-L406 HydrophobicContact CZ-CD2 3.84Å; F402-L406 HydrophobicContact CZ-CG 4.11Å; F402-L406 PolarHBondContact O-N 2.94Å; L406-S408 VanDerWaalsContact C-N 3.35Å; L406-S408 PolarHBondContact O-N 2.81Å; L406-M409 PolarHBondContact O-N 2.85Å; L406-M409 VanDerWaalsContact O-N 3.16Å; L406-G410 PolarHBondContact O-N 3.08Å; L406-V411 HydrophobicContact CB-CB 4.27Å; L406-V411 HydrophobicContact CB-CG2 4.43Å; L406-V411 HydrophobicContact CD2-CG2 4.22Å; L406-V411 PolarHBondContact O-N 3.15Å; L406-V411 VanDerWaalsContact O-N 3.16Å; L406-I428 HydrophobicContact CD1-CD1 4.44Å; L406-F433 HydrophobicContact CD1-CZ 4.2Å |
| 407 | R | 88.6 | Confident | 88.6 | Confident | 131 Ų | 131 | 57.9 Ų | 57.9 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 172.8 | -85.9 | -172.7 | -66.9 | -98.5 | -2 | 112.7 | A403 Q405 M409 G410 D412 | A403-R407 PolarHBondContact O-N 3.4Å; A403-R407 VanDerWaalsContact O-N 3.14Å; Q405-R407 VanDerWaalsContact C-N 3.33Å; Q405-R407 PolarHBondContact O-N 2.76Å; R407-M409 PolarHBondContact O-N 3.43Å; R407-G410 PolarHBondContact O-N 3.44Å; R407-D412 WeakPolarHBondContact CG-OD2 3.35Å |
| 408 | S | 88.4 | Confident | 88.9 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 68% | 0.678 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.8 | -24.6 | 179.7 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | R404 Q405 L406 G410 | R404-S408 PolarHBondContact O-N 2.75Å; Q405-S408 WeakPolarHBondContact CA-OG 3.41Å; Q405-S408 PolarHBondContact O-N 3.39Å; Q405-S408 VanDerWaalsContact O-N 3.1Å; Q405-S408 PolarHBondContact O-OG 3.35Å; L406-S408 VanDerWaalsContact C-N 3.35Å; L406-S408 PolarHBondContact O-N 2.81Å; S408-G410 VanDerWaalsContact C-N 3.29Å |
| 409 | M | 88.3 | Confident | 89.2 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.6 | 172.9 | -69.8 | 175.8 | 65 | 0 | 0 | 112.7 | E366 F367 K383 L384 L387 Q405 L406 R407 V411 | E366-M409 HydrophobicContact CB-CE 4.15Å; F367-M409 HydrophobicContact CD1-CE 4.28Å; F367-M409 WeakPolarHBondContact CE1-O 3.15Å; K383-M409 HydrophobicContact CD-CE 4.46Å; L384-M409 HydrophobicContact CB-CE 4.35Å; L384-M409 HydrophobicContact CD1-CE 4.41Å; L387-M409 HydrophobicContact CD2-SD 4.03Å; Q405-M409 WeakPolarHBondContact O-CG 3.32Å; Q405-M409 PolarHBondContact O-N 3.18Å; L406-M409 PolarHBondContact O-N 2.85Å; L406-M409 VanDerWaalsContact O-N 3.16Å; R407-M409 PolarHBondContact O-N 3.43Å; M409-V411 HydrophobicContact CB-CG2 4.19Å |
| 410 | G | 90 | Very high | 89.3 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 17.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L406 R407 S408 E413 A414 | L406-G410 PolarHBondContact O-N 3.08Å; R407-G410 PolarHBondContact O-N 3.44Å; S408-G410 VanDerWaalsContact C-N 3.29Å; G410-E413 PolarHBondContact O-N 3.49Å; G410-A414 WeakPolarHBondContact O-CB 3.05Å; G410-A414 PolarHBondContact O-N 3.05Å |
| 411 | V | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 179.7 | 173 | 0 | 0 | 0 | 0 | 111.1 | F367 L379 L406 M409 E413 A414 L415 | F367-V411 HydrophobicContact CD1-CG2 4Å; F367-V411 HydrophobicContact CD2-CG2 4.3Å; F367-V411 HydrophobicContact CE1-CG2 3.91Å; F367-V411 HydrophobicContact CE2-CG2 4.21Å; F367-V411 HydrophobicContact CG-CG2 4.2Å; F367-V411 HydrophobicContact CZ-CG2 4.01Å; L379-V411 HydrophobicContact CD1-CG1 3.59Å; L379-V411 HydrophobicContact CD2-CG1 4.07Å; L406-V411 HydrophobicContact CB-CB 4.27Å; L406-V411 HydrophobicContact CB-CG2 4.43Å; L406-V411 HydrophobicContact CD2-CG2 4.22Å; L406-V411 PolarHBondContact O-N 3.15Å; L406-V411 VanDerWaalsContact O-N 3.16Å; M409-V411 HydrophobicContact CB-CG2 4.19Å; V411-E413 VanDerWaalsContact C-N 3.34Å; V411-E413 PolarHBondContact O-N 2.97Å; V411-A414 PolarHBondContact O-N 3.21Å; V411-L415 HydrophobicContact CG1-CD1 3.98Å; V411-L415 HydrophobicContact CG1-CG 4.43Å; V411-L415 WeakPolarHBondContact O-CG 3.27Å; V411-L415 PolarHBondContact O-N 3.3Å |
| 412 | D | 89.7 | Confident | 89.5 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 179.8 | -60.2 | 19.7 | 0 | 0 | 0 | 111.4 | R407 L415 R416 F435 | R407-D412 WeakPolarHBondContact CG-OD2 3.35Å; D412-L415 PolarHBondContact O-N 2.65Å; D412-R416 WeakPolarHBondContact O-CG 2.98Å; D412-R416 PolarHBondContact O-N 3.44Å; D412-F435 HydrophobicContact CB-CE2 4.13Å |
| 413 | E | 90 | Very high | 89.4 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 64% | 0.64 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 177.3 | -66 | -180 | -177.6 | 0 | 0 | 111.8 | G410 V411 R416 A417 | G410-E413 PolarHBondContact O-N 3.49Å; V411-E413 VanDerWaalsContact C-N 3.34Å; V411-E413 PolarHBondContact O-N 2.97Å; E413-R416 PolarHBondContact O-N 3.35Å; E413-A417 WeakPolarHBondContact O-CB 3.27Å; E413-A417 PolarHBondContact O-N 3.2Å |
| 414 | A | 91 | Very high | 89.5 | Confident | 21 Ų | 21 | 66 Ų | 66 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69 | -34.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F367 I369 G410 V411 R418 | F367-A414 HydrophobicContact CE2-CB 3.63Å; F367-A414 HydrophobicContact CZ-CB 3.71Å; I369-A414 HydrophobicContact CD1-CB 3.78Å; G410-A414 WeakPolarHBondContact O-CB 3.05Å; G410-A414 PolarHBondContact O-N 3.05Å; V411-A414 PolarHBondContact O-N 3.21Å; A414-R418 PolarHBondContact O-N 2.98Å |
| 415 | L | 91.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -48.5 | 172.2 | -79.4 | 171.1 | 0 | 0 | 0 | 110.8 | I369 W377 L379 V411 D412 A417 R418 G419 A420 V426 F435 | I369-L415 HydrophobicContact CD1-CD2 3.81Å; I369-L415 HydrophobicContact CD1-CG 3.85Å; I369-L415 HydrophobicContact CG2-CD2 3.89Å; W377-L415 HydrophobicContact CB-CD2 3.86Å; W377-L415 HydrophobicContact CD2-CD2 4.1Å; W377-L415 HydrophobicContact CE3-CD2 4.36Å; W377-L415 HydrophobicContact CG-CD2 3.89Å; L379-L415 HydrophobicContact CD2-CD2 4.28Å; L379-L415 HydrophobicContact CD2-CG 4.49Å; V411-L415 HydrophobicContact CG1-CD1 3.98Å; V411-L415 HydrophobicContact CG1-CG 4.43Å; V411-L415 WeakPolarHBondContact O-CG 3.27Å; V411-L415 PolarHBondContact O-N 3.3Å; D412-L415 PolarHBondContact O-N 2.65Å; L415-A417 VanDerWaalsContact C-N 3.33Å; L415-A417 PolarHBondContact O-N 3.45Å; L415-R418 CarbonylContact O-C 2.96Å; L415-R418 PolarHBondContact O-N 2.96Å; L415-G419 PolarHBondContact O-N 3.23Å; L415-G419 VanDerWaalsContact O-N 3.14Å; L415-A420 HydrophobicContact CB-CB 3.81Å; L415-A420 HydrophobicContact CD2-CB 4.28Å; L415-A420 WeakPolarHBondContact O-CB 3.43Å; L415-A420 PolarHBondContact O-N 3.49Å; L415-V426 HydrophobicContact CD1-CG1 4.38Å; L415-V426 HydrophobicContact CD1-CG2 4.03Å; L415-F435 HydrophobicContact CB-CE2 4.37Å; L415-F435 HydrophobicContact CD1-CD2 3.85Å; L415-F435 HydrophobicContact CD1-CE2 4.08Å |
| 416 | R | 90.1 | Very high | 89.6 | Confident | 97 Ų | 97 | 59.5 Ų | 59.5 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 175.5 | -72.4 | -176 | -154.1 | 108.9 | 3.5 | 112.2 | D412 E413 R418 G419 F435 D437 | D412-R416 WeakPolarHBondContact O-CG 2.98Å; D412-R416 PolarHBondContact O-N 3.44Å; E413-R416 PolarHBondContact O-N 3.35Å; R416-R418 PolarHBondContact O-N 2.96Å; R416-G419 WeakPolarHBondContact O-CA 3.43Å; R416-G419 PolarHBondContact O-N 3.3Å; R416-F435 HydrophobicContact CG-CE1 4.33Å; R416-F435 HydrophobicContact CG-CZ 4.04Å; R416-D437 IonicContact CZ-OD1 3.15Å; R416-D437 VanDerWaalsContact CZ-OD1 3.27Å; R416-D437 IonicContact NE-OD1 2.78Å; R416-D437 PolarHBondContact NE-OD1 3.31Å; R416-D437 IonicContact NH2-OD1 2.72Å; R416-D437 PolarHBondContact NH2-OD1 3.33Å |
| 417 | A | 90.5 | Very high | 89.7 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 74% | 0.744 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.8 | -27.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E413 L415 | E413-A417 WeakPolarHBondContact O-CB 3.27Å; E413-A417 PolarHBondContact O-N 3.2Å; L415-A417 VanDerWaalsContact C-N 3.33Å; L415-A417 PolarHBondContact O-N 3.45Å |
| 418 | R | 90.7 | Very high | 89.7 | Confident | 132 Ų | 132 | 54.7 Ų | 54.7 | 50% | 0.498 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -87.6 | -3.4 | 173.5 | -72.4 | -173.4 | 169.8 | 98.9 | -8.1 | 113.7 | I369 W377 A414 L415 R416 | I369-R418 VanDerWaalsContact CG1-NH1 3.27Å; W377-R418 HydrophobicContact CH2-CB 3.79Å; W377-R418 VanDerWaalsContact CH2-O 3.31Å; W377-R418 WeakPolarHBondContact CH2-O 3.33Å; W377-R418 HydrophobicContact CZ3-CB 3.79Å; A414-R418 PolarHBondContact O-N 2.98Å; L415-R418 CarbonylContact O-C 2.96Å; L415-R418 PolarHBondContact O-N 2.96Å; R416-R418 PolarHBondContact O-N 2.96Å |
| 419 | G | 88.9 | Confident | 89.5 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 21.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | L415 R416 | L415-G419 PolarHBondContact O-N 3.23Å; L415-G419 VanDerWaalsContact O-N 3.14Å; R416-G419 WeakPolarHBondContact O-CA 3.43Å; R416-G419 PolarHBondContact O-N 3.3Å |
| 420 | A | 88.7 | Confident | 89.1 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | trans | -61 | 140 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | W377 L415 D424 F435 | W377-A420 HydrophobicContact CD2-CB 4.43Å; W377-A420 HydrophobicContact CZ2-CB 4.05Å; L415-A420 HydrophobicContact CB-CB 3.81Å; L415-A420 HydrophobicContact CD2-CB 4.28Å; L415-A420 WeakPolarHBondContact O-CB 3.43Å; L415-A420 PolarHBondContact O-N 3.49Å; A420-D424 VanDerWaalsContact CA-OD2 3.32Å; A420-D424 WeakPolarHBondContact CA-OD2 3.48Å; A420-F435 HydrophobicContact CB-CD1 4.32Å | ||
| 421 | K | 88.7 | Confident | 88.8 | Confident | 151 Ų | 151 | 64.4 Ų | 64.4 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | trans | -116 | 157.3 | 179.7 | -63.7 | 179.8 | -177.8 | 176.9 | 0 | 110.7 | G423 D424 | K421-G423 PolarHBondContact O-N 2.79Å; K421-D424 PolarHBondContact N-OD2 2.78Å; K421-D424 VanDerWaalsContact O-CB 3.27Å; K421-D424 WeakPolarHBondContact O-CB 3.41Å; K421-D424 PolarHBondContact O-N 2.87Å | ||
| 422 | D | 88.4 | Confident | 88.6 | Confident | 112 Ų | 112 | 69 Ų | 69 | 60% | 0.599 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 124.9 | 167.5 | -169.4 | 58.5 | 0 | 0 | 0 | 109.6 | F435 V436 D437 | D422-F435 WeakPolarHBondContact CA-O 3.23Å; D422-V436 WeakPolarHBondContact OD1-CA 3.48Å; D422-D437 PolarHBondContact OD1-N 3.24Å |
| 423 | G | 87.3 | Confident | 88.4 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | K421 E434 F435 | K421-G423 PolarHBondContact O-N 2.79Å; G423-E434 VanDerWaalsContact CA-OE1 3.23Å; G423-E434 WeakPolarHBondContact CA-OE1 3.47Å; G423-F435 PolarHBondContact N-O 3.26Å |
| 424 | D | 90.2 | Very high | 88.2 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | trans | -69.5 | 141.4 | 176.3 | -76.9 | -6.1 | 0 | 0 | 0 | 110.9 | W377 A420 K421 F435 | W377-D424 PolarHBondContact NE1-OD2 2.72Å; A420-D424 VanDerWaalsContact CA-OD2 3.32Å; A420-D424 WeakPolarHBondContact CA-OD2 3.48Å; K421-D424 PolarHBondContact N-OD2 2.78Å; K421-D424 VanDerWaalsContact O-CB 3.27Å; K421-D424 WeakPolarHBondContact O-CB 3.41Å; K421-D424 PolarHBondContact O-N 2.87Å; D424-F435 PolarHBondContact O-N 3.35Å | ||
| 425 | L | 91 | Very high | 88 | Confident | 81 Ų | 81 | 69 Ų | 69 | 42% | 0.424 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 134.4 | 174.8 | -65.9 | 175.9 | 0 | 0 | 0 | 111 | T376 W377 | T376-L425 HydrophobicContact CG2-CB 3.99Å; W377-L425 PolarHBondContact N-O 2.86Å |
| 426 | V | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.1 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | W377 L379 L415 E432 F433 F435 | W377-V426 HydrophobicContact CB-CG2 4.25Å; W377-V426 CarbonylContact O-C 3.4Å; W377-V426 VanDerWaalsContact O-CA 3.28Å; W377-V426 WeakPolarHBondContact O-CA 3.19Å; L379-V426 HydrophobicContact CD1-CG1 3.51Å; L379-V426 HydrophobicContact CG-CG1 3.7Å; L415-V426 HydrophobicContact CD1-CG1 4.38Å; L415-V426 HydrophobicContact CD1-CG2 4.03Å; V426-E432 CarbonylContact O-C 3.57Å; V426-E432 WeakPolarHBondContact O-CA 3.27Å; V426-F433 HydrophobicContact CB-CD1 4.42Å; V426-F433 HydrophobicContact CB-CD2 4.15Å; V426-F433 HydrophobicContact CB-CE1 4.02Å; V426-F433 HydrophobicContact CB-CE2 3.73Å; V426-F433 HydrophobicContact CB-CG 4.5Å; V426-F433 HydrophobicContact CB-CZ 3.67Å; V426-F433 HydrophobicContact CG1-CE1 3.84Å; V426-F433 HydrophobicContact CG1-CE2 3.94Å; V426-F433 HydrophobicContact CG1-CZ 3.41Å; V426-F433 VanDerWaalsContact CG1-CZ 3.41Å; V426-F433 HydrophobicContact CG2-CE2 4.23Å; V426-F433 PolarHBondContact N-O 2.88Å; V426-F433 WeakPolarHBondContact O-CD1 3.45Å; V426-F433 PolarHBondContact O-N 3.37Å; V426-F435 HydrophobicContact CG2-CB 3.84Å |
| 427 | R | 91.4 | Very high | 86.3 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.3 | -178.6 | -168.7 | -176.9 | -62.6 | 138.2 | 3.4 | 110.8 | E372 D374 T376 W377 V378 L379 F431 E432 | E372-R427 IonicContact OE1-NH1 3.82Å; E372-R427 PolarHBondContact OE1-NH1 3.25Å; E372-R427 IonicContact OE2-CZ 2.89Å; E372-R427 IonicContact OE2-NH1 2.6Å; E372-R427 PolarHBondContact OE2-NH1 2.91Å; D374-R427 IonicContact OD2-CZ 3.82Å; D374-R427 IonicContact OD2-NH2 3.88Å; D374-R427 PolarHBondContact OD2-NH2 2.8Å; T376-R427 HydrophobicContact CG2-CB 3.8Å; W377-R427 PolarHBondContact O-N 2.96Å; V378-R427 HydrophobicContact CG2-CB 4.39Å; L379-R427 PolarHBondContact N-O 2.82Å; R427-F431 CarbonylContact C-O 3.58Å; R427-F431 VanDerWaalsContact CA-O 3.27Å; R427-F431 WeakPolarHBondContact CA-O 3.48Å; R427-E432 HydrophobicContact CB-CG 4.15Å; R427-E432 HydrophobicContact CG-CG 3.9Å; R427-E432 IonicContact CZ-OE1 3.96Å; R427-E432 IonicContact NE-OE1 2.96Å; R427-E432 PolarHBondContact NE-OE1 3.24Å; R427-E432 IonicContact NH2-OE1 3.81Å; R427-E432 PolarHBondContact NH2-OE1 3.38Å |
| 428 | I | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.1 | 166.3 | -59.6 | 166.1 | 0 | 0 | 0 | 106.8 | L379 L384 F388 F402 L406 K430 F431 F433 | L379-I428 HydrophobicContact CB-CG1 3.89Å; L379-I428 HydrophobicContact CD1-CD1 4.04Å; L379-I428 HydrophobicContact CD1-CG1 3.91Å; L379-I428 HydrophobicContact CG-CG1 4.38Å; L384-I428 HydrophobicContact CD1-CD1 4.45Å; L384-I428 HydrophobicContact CD2-CG1 4.45Å; F388-I428 HydrophobicContact CB-CG2 3.92Å; F388-I428 HydrophobicContact CD1-CG2 4.17Å; F388-I428 HydrophobicContact CD2-CB 4.25Å; F388-I428 HydrophobicContact CD2-CG2 3.93Å; F388-I428 HydrophobicContact CG-CG2 3.72Å; F402-I428 HydrophobicContact CE1-CD1 4.02Å; F402-I428 HydrophobicContact CZ-CD1 3.79Å; L406-I428 HydrophobicContact CD1-CD1 4.44Å; I428-K430 PolarHBondContact O-N 2.96Å; I428-F431 PolarHBondContact N-O 3.13Å; I428-F431 PolarHBondContact O-N 2.78Å; I428-F433 HydrophobicContact CD1-CE1 3.72Å; I428-F433 HydrophobicContact CD1-CZ 4.14Å; I428-F433 HydrophobicContact CG1-CE1 4.02Å |
| 429 | D | 83.1 | Confident | 85.8 | Confident | 92 Ų | 92 | 72 Ų | 72 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -108.9 | -173.3 | -174 | 20.5 | 0 | 0 | 0 | 111.1 | F388 | F388-D429 HydrophobicContact CE1-CB 4.31Š|
| 430 | K | 79.8 | Confident | 85.6 | Confident | 188 Ų | 188 | 73.6 Ų | 73.6 | 82% | 0.817 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -1 | 179 | -62 | 178.6 | -174.4 | 174.9 | 0 | 114.1 | I428 | I428-K430 PolarHBondContact O-N 2.96Š|
| 431 | F | 83.6 | Confident | 85.5 | Confident | 72 Ų | 72 | 77.3 Ų | 77.3 | 32% | 0.316 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.2 | -174.7 | -176.1 | -96.7 | 0 | 0 | 0 | 110.4 | F388 F393 R427 I428 F433 | F388-F431 HydrophobicContact CE2-CB 3.49Å; F388-F431 VanDerWaalsContact CE2-CB 3.49Å; F388-F431 AromaticContact CE2-CD1 3.98Å; F388-F431 HydrophobicContact CE2-CD1 3.98Å; F388-F431 AromaticContact CE2-CG 3.77Å; F388-F431 HydrophobicContact CE2-CG 3.77Å; F388-F431 HydrophobicContact CZ-CB 3.37Å; F388-F431 HydrophobicContact CZ-CG 4.05Å; F393-F431 HydrophobicContact CD1-CE2 4.35Å; F393-F431 HydrophobicContact CD1-CZ 4.26Å; F393-F431 HydrophobicContact CE1-CE1 4.36Å; F393-F431 HydrophobicContact CE1-CZ 4.32Å; R427-F431 CarbonylContact C-O 3.58Å; R427-F431 VanDerWaalsContact CA-O 3.27Å; R427-F431 WeakPolarHBondContact CA-O 3.48Å; I428-F431 PolarHBondContact N-O 3.13Å; I428-F431 PolarHBondContact O-N 2.78Å; F431-F433 AromaticContact CD1-CD1 3.73Å; F431-F433 HydrophobicContact CD1-CD1 3.73Å; F431-F433 HydrophobicContact CD1-CE1 4.47Å; F431-F433 HydrophobicContact CE1-CB 3.9Å; F431-F433 AromaticContact CE1-CD1 3.7Å; F431-F433 HydrophobicContact CE1-CD1 3.7Å; F431-F433 HydrophobicContact CE1-CG 4.16Å |
| 432 | E | 85.8 | Confident | 85.3 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.1 | 177.7 | -66.8 | -178.7 | 171.1 | 0 | 0 | 109.8 | V426 R427 | V426-E432 CarbonylContact O-C 3.57Å; V426-E432 WeakPolarHBondContact O-CA 3.27Å; R427-E432 HydrophobicContact CB-CG 4.15Å; R427-E432 HydrophobicContact CG-CG 3.9Å; R427-E432 IonicContact CZ-OE1 3.96Å; R427-E432 IonicContact NE-OE1 2.96Å; R427-E432 PolarHBondContact NE-OE1 3.24Å; R427-E432 IonicContact NH2-OE1 3.81Å; R427-E432 PolarHBondContact NH2-OE1 3.38Å |
| 433 | F | 86.7 | Confident | 85 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 23% | 0.228 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.9 | 174.3 | 60.4 | -83 | 0 | 0 | 0 | 110.4 | L379 L406 V426 I428 F431 | L379-F433 HydrophobicContact CD1-CZ 4.36Å; L406-F433 HydrophobicContact CD1-CZ 4.2Å; V426-F433 HydrophobicContact CB-CD1 4.42Å; V426-F433 HydrophobicContact CB-CD2 4.15Å; V426-F433 HydrophobicContact CB-CE1 4.02Å; V426-F433 HydrophobicContact CB-CE2 3.73Å; V426-F433 HydrophobicContact CB-CG 4.5Å; V426-F433 HydrophobicContact CB-CZ 3.67Å; V426-F433 HydrophobicContact CG1-CE1 3.84Å; V426-F433 HydrophobicContact CG1-CE2 3.94Å; V426-F433 HydrophobicContact CG1-CZ 3.41Å; V426-F433 VanDerWaalsContact CG1-CZ 3.41Å; V426-F433 HydrophobicContact CG2-CE2 4.23Å; V426-F433 PolarHBondContact N-O 2.88Å; V426-F433 WeakPolarHBondContact O-CD1 3.45Å; V426-F433 PolarHBondContact O-N 3.37Å; I428-F433 HydrophobicContact CD1-CE1 3.72Å; I428-F433 HydrophobicContact CD1-CZ 4.14Å; I428-F433 HydrophobicContact CG1-CE1 4.02Å; F431-F433 AromaticContact CD1-CD1 3.73Å; F431-F433 HydrophobicContact CD1-CD1 3.73Å; F431-F433 HydrophobicContact CD1-CE1 4.47Å; F431-F433 HydrophobicContact CE1-CB 3.9Å; F431-F433 AromaticContact CE1-CD1 3.7Å; F431-F433 HydrophobicContact CE1-CD1 3.7Å; F431-F433 HydrophobicContact CE1-CG 4.16Å |
| 434 | E | 86.2 | Confident | 84.9 | Confident | 120 Ų | 120 | 72.9 Ų | 72.9 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.6 | 177.2 | -165 | 171.5 | -175.3 | 0 | 0 | 109.3 | G423 V436 | G423-E434 VanDerWaalsContact CA-OE1 3.23Å; G423-E434 WeakPolarHBondContact CA-OE1 3.47Å; E434-V436 PolarHBondContact O-N 3.35Å |
| 435 | F | 85.4 | Confident | 84.5 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | trans | -70.3 | 117.2 | 170.2 | -176.8 | -111.3 | 0 | 0 | 0 | 108.6 | D412 L415 R416 A420 D422 G423 D424 V426 D437 | D412-F435 HydrophobicContact CB-CE2 4.13Å; L415-F435 HydrophobicContact CB-CE2 4.37Å; L415-F435 HydrophobicContact CD1-CD2 3.85Å; L415-F435 HydrophobicContact CD1-CE2 4.08Å; R416-F435 HydrophobicContact CG-CE1 4.33Å; R416-F435 HydrophobicContact CG-CZ 4.04Å; A420-F435 HydrophobicContact CB-CD1 4.32Å; D422-F435 WeakPolarHBondContact CA-O 3.23Å; G423-F435 PolarHBondContact N-O 3.26Å; D424-F435 PolarHBondContact O-N 3.35Å; V426-F435 HydrophobicContact CG2-CB 3.84Å; F435-D437 HydrophobicContact CE1-CB 4.4Å | ||
| 436 | V | 79 | Confident | 83.9 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | trans | -113.6 | 120.7 | 176.3 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | D422 E434 | D422-V436 WeakPolarHBondContact OD1-CA 3.48Å; E434-V436 PolarHBondContact O-N 3.35Å | ||
| 437 | D | 66.7 | Low | 83.3 | Confident | 137 Ų | 137 | 82.1 Ų | 82.1 | 73% | 0.733 | 40% | 0.398 | S | S | * | . | trans | -77.3 | 0 | -176.8 | -159.7 | 23.9 | 0 | 0 | 0 | 114.2 | R416 D422 F435 | R416-D437 IonicContact CZ-OD1 3.15Å; R416-D437 VanDerWaalsContact CZ-OD1 3.27Å; R416-D437 IonicContact NE-OD1 2.78Å; R416-D437 PolarHBondContact NE-OD1 3.31Å; R416-D437 IonicContact NH2-OD1 2.72Å; R416-D437 PolarHBondContact NH2-OD1 3.33Å; D422-D437 PolarHBondContact OD1-N 3.24Å; F435-D437 HydrophobicContact CE1-CB 4.4Å |
Retrieved 437 of 437 residues in 270.7 ms
(Link to these results)